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C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Comparing the result: contradicting previous findings
This study supports evidence from clinical observations (e.g. Smith, 2007; Jones et al., 2015) that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Comparing the result: contradicting previous findings". Example Sentence: "This study supports evidence from clinical observations (e.g. Smith, 2007; Jones et al., 2015) that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Comparing the result: contradicting previous findings
This study has been unable to demonstrate that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Comparing the result: contradicting previous findings". Example Sentence: "This study has been unable to demonstrate that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Comparing the result: contradicting previous findings
However, this result has not previously been described.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Comparing the result: contradicting previous findings". Example Sentence: "However, this result has not previously been described.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Comparing the result: contradicting previous findings
This outcome is contrary to that of Smith et al. (2020) who found …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Comparing the result: contradicting previous findings". Example Sentence: "This outcome is contrary to that of Smith et al. (2020) who found …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Offering an explanation for the findings
Although, these results differ from some published studies (Smith, 2007; Jones, 2015), they are consistent with those of …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Offering an explanation for the findings". Example Sentence: "Although, these results differ from some published studies (Smith, 2007; Jones, 2015), they are consistent with those of …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Offering an explanation for the findings
A possible explanation for this might be that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Offering an explanation for the findings". Example Sentence: "A possible explanation for this might be that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Offering an explanation for the findings
Another possible explanation for this is that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Offering an explanation for the findings". Example Sentence: "Another possible explanation for this is that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Offering an explanation for the findings
This result may be explained by the fact that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Offering an explanation for the findings". Example Sentence: "This result may be explained by the fact that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Advising cautious interpretation of the findings
It is possible that these unmeasured variables could account for some aspects of the results.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Advising cautious interpretation of the findings". Example Sentence: "It is possible that these unmeasured variables could account for some aspects of the results.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Advising cautious interpretation of the findings
Another source of uncertainty is …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Advising cautious interpretation of the findings". Example Sentence: "Another source of uncertainty is …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Advising cautious interpretation of the findings
Additional uncertainty arises from …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Advising cautious interpretation of the findings". Example Sentence: "Additional uncertainty arises from …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Advising cautious interpretation of the findings
A note of caution is due here since …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Advising cautious interpretation of the findings". Example Sentence: "A note of caution is due here since …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Commenting on the findings
However, with a small sample size, caution must be applied, as the findings might not be …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Commenting on the findings". Example Sentence: "However, with a small sample size, caution must be applied, as the findings might not be …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Commenting on the findings
This finding is reassuring since …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Commenting on the findings". Example Sentence: "This finding is reassuring since …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Commenting on the findings
These findings are rather disappointing.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Commenting on the findings". Example Sentence: "These findings are rather disappointing.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Commenting on the findings
However, these results were not very encouraging.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Commenting on the findings". Example Sentence: "However, these results were not very encouraging.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Suggesting general hypotheses
Unfortunately, these findings are rather difficult to interpret because …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggesting general hypotheses". Example Sentence: "Unfortunately, these findings are rather difficult to interpret because …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Suggesting general hypotheses
These findings suggest that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggesting general hypotheses". Example Sentence: "These findings suggest that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Suggesting general hypotheses
It is possible, therefore, that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggesting general hypotheses". Example Sentence: "It is possible, therefore, that ... ". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Suggesting general hypotheses
It can thus be suggested that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggesting general hypotheses". Example Sentence: "It can thus be suggested that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Noting implications of the findings
It is possible to hypothesise that these conditions are less likely to occur in ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Noting implications of the findings". Example Sentence: "It is possible to hypothesise that these conditions are less likely to occur in ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Noting implications of the findings
These findings suggest that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Noting implications of the findings". Example Sentence: "These findings suggest that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Noting implications of the findings
It can therefore be assumed that the ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Noting implications of the findings". Example Sentence: "It can therefore be assumed that the ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Noting implications of the findings
This provides some explanation as to why …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Noting implications of the findings". Example Sentence: "This provides some explanation as to why …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Suggestions for future work
This combination of findings provides some support for the conceptual premise that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggestions for future work". Example Sentence: "This combination of findings provides some support for the conceptual premise that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Suggestions for future work
This is an important issue for future research.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggestions for future work". Example Sentence: "This is an important issue for future research. ". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Suggestions for future work
Research questions that could be asked include ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggestions for future work". Example Sentence: "Research questions that could be asked include ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Discussing Findings
Suggestions for future work
Several questions remain unanswered at present.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Discussing Findings section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggestions for future work". Example Sentence: "Several questions remain unanswered at present.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Referring back to the purpose of the paper or study
However, more research on this topic needs to be undertaken before the association between X and Y is more clearly understood.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring back to the purpose of the paper or study". Example Sentence: "However, more research on this topic needs to be undertaken before the association between X and Y is more clearly understood.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Referring back to the purpose of the paper or study
This study set out to …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring back to the purpose of the paper or study". Example Sentence: "This study set out to …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Referring back to the purpose of the paper or study
This paper has argued that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring back to the purpose of the paper or study". Example Sentence: "This paper has argued that ... ". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Referring back to the purpose of the paper or study
This essay has discussed the reasons for ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Referring back to the purpose of the paper or study". Example Sentence: "This essay has discussed the reasons for ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Summarising the main research findings
Returning to the question posed at the beginning of this study, it is now possible to state that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Summarising the main research findings". Example Sentence: "Returning to the question posed at the beginning of this study, it is now possible to state that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Summarising the main research findings
This study has identified …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Summarising the main research findings". Example Sentence: "This study has identified …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Summarising the main research findings
This study has shown that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Summarising the main research findings". Example Sentence: "This study has shown that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Summarising the main research findings
The findings clearly indicate that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Summarising the main research findings". Example Sentence: "The findings clearly indicate that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Suggesting implications for what is already known
One of the more significant findings to emerge from this study is that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggesting implications for what is already known". Example Sentence: "One of the more significant findings to emerge from this study is that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Suggesting implications for what is already known
In general, therefore, it seems that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggesting implications for what is already known". Example Sentence: "In general, therefore, it seems that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Suggesting implications for what is already known
The results of this study indicate that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggesting implications for what is already known". Example Sentence: "The results of this study indicate that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Suggesting implications for what is already known
The findings of this study suggest that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Suggesting implications for what is already known". Example Sentence: "The findings of this study suggest that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Explaining the significance of the findings or contribution of the study
These findings raised important theoretical issues that have a bearing on the ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining the significance of the findings or contribution of the study". Example Sentence: "These findings raised important theoretical issues that have a bearing on the ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Explaining the significance of the findings or contribution of the study
The findings will be of interest to …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining the significance of the findings or contribution of the study". Example Sentence: "The findings will be of interest to …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Explaining the significance of the findings or contribution of the study
This thesis has provided a deeper insight into …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining the significance of the findings or contribution of the study". Example Sentence: "This thesis has provided a deeper insight into …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Explaining the significance of the findings or contribution of the study
The findings reported here shed new light on …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Explaining the significance of the findings or contribution of the study". Example Sentence: "The findings reported here shed new light on …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Commenting on the strengths of the current study
These findings contribute in several ways to our understanding of X and provide a basis for …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Commenting on the strengths of the current study". Example Sentence: "These findings contribute in several ways to our understanding of X and provide a basis for …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Commenting on the strengths of the current study
A key strength of the present study was the ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Commenting on the strengths of the current study". Example Sentence: "A key strength of the present study was the ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Commenting on the strengths of the current study
The main strength of this study is the exclusion of …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Commenting on the strengths of the current study". Example Sentence: "The main strength of this study is the exclusion of …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Commenting on the strengths of the current study
One strength of this study is the high rate of follow-up, …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Commenting on the strengths of the current study". Example Sentence: "One strength of this study is the high rate of follow-up, …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Introducing the limitations of the current study
One of the strengths of this study is that it represents a comprehensive examination of the whole …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Introducing the limitations of the current study". Example Sentence: "One of the strengths of this study is that it represents a comprehensive examination of the whole …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Introducing the limitations of the current study
A number of limitations need to be noted regarding the present study.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Introducing the limitations of the current study". Example Sentence: "A number of limitations need to be noted regarding the present study.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Introducing the limitations of the current study
Study limitations make an overall conclusion about X extremely difficult.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Introducing the limitations of the current study". Example Sentence: "Study limitations make an overall conclusion about X extremely difficult.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Introducing the limitations of the current study
The findings in this report are subject to at least three limitations. First, ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Introducing the limitations of the current study". Example Sentence: "The findings in this report are subject to at least three limitations. First, ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Detailing specific limitations
Although the study has successfully demonstrated that ..., it has certain limitations in terms of ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Detailing specific limitations". Example Sentence: "Although the study has successfully demonstrated that ..., it has certain limitations in terms of ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Detailing specific limitations
A limitation of this study is that …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Detailing specific limitations". Example Sentence: "A limitation of this study is that …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Detailing specific limitations
Being limited to X, this study lacks …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Detailing specific limitations". Example Sentence: "Being limited to X, this study lacks …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Detailing specific limitations
The major limitation of this study is the ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Detailing specific limitations". Example Sentence: "The major limitation of this study is the ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Acknowledging limitation(s) whilst stating a finding or contribution
With a small sample size, caution must be applied, as the findings might not be transferable to ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Acknowledging limitation(s) whilst stating a finding or contribution". Example Sentence: "With a small sample size, caution must be applied, as the findings might not be transferable to ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Acknowledging limitation(s) whilst stating a finding or contribution
Notwithstanding these limitations, the study suggests that ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Acknowledging limitation(s) whilst stating a finding or contribution". Example Sentence: "Notwithstanding these limitations, the study suggests that ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Acknowledging limitation(s) whilst stating a finding or contribution
Whilst this study did not confirm X, it did partially substantiate ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Acknowledging limitation(s) whilst stating a finding or contribution". Example Sentence: "Whilst this study did not confirm X, it did partially substantiate ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Acknowledging limitation(s) whilst stating a finding or contribution
Despite its exploratory nature, this study offers some insight into ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Acknowledging limitation(s) whilst stating a finding or contribution". Example Sentence: "Despite its exploratory nature, this study offers some insight into ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Making recommendations for further research work
Although the current study is based on a small sample of participants, the findings suggest ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Making recommendations for further research work". Example Sentence: "Although the current study is based on a small sample of participants, the findings suggest ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Making recommendations for further research work
The question raised by this study is …
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Making recommendations for further research work". Example Sentence: "The question raised by this study is …". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Making recommendations for further research work
The study should be repeated using ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Making recommendations for further research work". Example Sentence: "The study should be repeated using ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Making recommendations for further research work
This would be a fruitful area for further work.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Making recommendations for further research work". Example Sentence: "This would be a fruitful area for further work.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Implications and/or recommendations for practice or policy
More information on X would help us to establish a greater degree of accuracy on this matter.
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Implications and/or recommendations for practice or policy". Example Sentence: "More information on X would help us to establish a greater degree of accuracy on this matter.". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Implications and/or recommendations for practice or policy
Other types of X could include: a), b) ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Implications and/or recommendations for practice or policy". Example Sentence: "Other types of X could include: a), b) ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Implications and/or recommendations for practice or policy
Greater efforts are needed to ensure ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Implications and/or recommendations for practice or policy". Example Sentence: "Greater efforts are needed to ensure ...". [/INST]
C459310
Computational science
field concerned with constructing mathematical models and quantitative analysis techniques and using computers to analyze and solve scientific problems
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
[ { "display_name": "Computer science", "id": "https://openalex.org/C41008148", "level": 0, "score": 0.7618063, "wikidata": "https://www.wikidata.org/wiki/Q21198" }, { "display_name": "Fortran", "id": "https://openalex.org/C2778241615", "level": 2, "score": 0.7142333, "wikidata": "https://www.wikidata.org/wiki/Q83303" }, { "display_name": "Scalability", "id": "https://openalex.org/C48044578", "level": 2, "score": 0.6163677, "wikidata": "https://www.wikidata.org/wiki/Q727490" }, { "display_name": "Computational science", "id": "https://openalex.org/C459310", "level": 1, "score": 0.6043809, "wikidata": "https://www.wikidata.org/wiki/Q117801" }, { "display_name": "Python (programming language)", "id": "https://openalex.org/C519991488", "level": 2, "score": 0.5628125, "wikidata": "https://www.wikidata.org/wiki/Q28865" }, { "display_name": "Workstation", "id": "https://openalex.org/C67953723", "level": 2, "score": 0.51667714, "wikidata": "https://www.wikidata.org/wiki/Q192525" }, { "display_name": "Byte", "id": "https://openalex.org/C43364308", "level": 2, "score": 0.50005126, "wikidata": "https://www.wikidata.org/wiki/Q8799" }, { "display_name": "Identifier", "id": "https://openalex.org/C154504017", "level": 2, "score": 0.48365864, "wikidata": "https://www.wikidata.org/wiki/Q853614" }, { "display_name": "Source code", "id": "https://openalex.org/C43126263", "level": 2, "score": 0.46870324, "wikidata": "https://www.wikidata.org/wiki/Q128751" }, { "display_name": "Parallel computing", "id": "https://openalex.org/C173608175", "level": 1, "score": 0.4628052, "wikidata": "https://www.wikidata.org/wiki/Q232661" }, { "display_name": "Supercomputer", "id": "https://openalex.org/C83283714", "level": 2, "score": 0.45736465, "wikidata": "https://www.wikidata.org/wiki/Q121117" }, { "display_name": "Porting", "id": "https://openalex.org/C106251023", "level": 3, "score": 0.4405868, "wikidata": "https://www.wikidata.org/wiki/Q851989" }, { "display_name": "Software", "id": "https://openalex.org/C2777904410", "level": 2, "score": 0.42291284, "wikidata": "https://www.wikidata.org/wiki/Q7397" }, { "display_name": "Xeon Phi", "id": "https://openalex.org/C96972482", "level": 2, "score": 0.42223054, "wikidata": "https://www.wikidata.org/wiki/Q1049168" }, { "display_name": "Modular design", "id": "https://openalex.org/C101468663", "level": 2, "score": 0.41905, "wikidata": "https://www.wikidata.org/wiki/Q1620158" }, { "display_name": "Programming language", "id": "https://openalex.org/C199360897", "level": 1, "score": 0.31082758, "wikidata": "https://www.wikidata.org/wiki/Q9143" } ]
Writing Conclusions
Implications and/or recommendations for practice or policy
There is, therefore, a definite need for ...
[INST] Please produce a sentence from the paper. The sentence should not mention the title of the paper, rather it be extracted from the Writing Conclusions section of the paper. Please provide one singular full sentence from the paper that serves the function provided, using the example as guidance. Be specific, using relevant terminology from the paper. Refrain from vague or generic statements. Finally produce a search query in the form of a question targeted towards the knowledge contained therein. You must output json with the structure of {'Sentence': sentence, 'Query': query}. Field: "Computational science". Paper: "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations" Function: "Implications and/or recommendations for practice or policy". Example Sentence: "There is, therefore, a definite need for ...". [/INST]