cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.3ft9xa
title: Occurrence Download

description: A dataset containing 15300 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Base de datos de colecciones de maíces nativos, teocintles y Tripsacum de México"
 ]
}

 The dataset includes 15300 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0033473-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rjstzt
title: Occurrence Download

description: A dataset containing 15080977 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Mexico",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 15080977 records from 1848 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012112-190813142620410/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wbpub8
title: Occurrence Download

description: A dataset containing 3140 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Ehretia acuminata R.Br."
 ]
}

 The dataset includes 3140 records from 99 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047334-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.s2u8xw
title: Occurrence Download

description: A dataset containing 28202 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Continent is Europe",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Issue is Continent derived from coordinates",
 "TaxonKey is Capreolus capreolus (Linnaeus, 1758)",
 "Year is 2022"
 ]
}

 The dataset includes 28202 records from 517 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047333-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zs5wfs
title: Occurrence Download

description: A dataset containing 256 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Orcaella brevirostris (Owen, 1866)"
 ]
}

 The dataset includes 256 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047335-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fkavqv
title: Occurrence Download

description: A dataset containing 1727 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Euploca strigosa (Willd.) Diane & Hilger"
 ]
}

 The dataset includes 1727 records from 74 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047336-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.e5xwef
title: Occurrence Download

description: A dataset containing 2469998 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Accipiter nisus (Linnaeus, 1758)"
 ]
}

 The dataset includes 2469998 records from 3431 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0047323-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ndbyan
title: Occurrence Download

description: A dataset containing 618 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rupicola peruviana (Latham, 1790)"
 ]
}

 The dataset includes 618 records from 48 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004597-150528172251762/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.prtpjx
title: Occurrence Download

description: A dataset containing 342 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Registros de mamíferos del Valle de Aburrá asociados al estudio del análisis de la conectividad ecológica funcional y estructural en el Área Metropolitana del Valle de Aburrá"
 ]
}

 The dataset includes 342 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032334-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pwrnd6
title: Occurrence Download

description: A dataset containing 29 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Peru",
 "TaxonKey is Bombus rubicundus Smith, 1854"
 ]
}

 The dataset includes 29 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0055534-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zcwwf8
title: Occurrence Download

description: A dataset containing 315526 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "Geometry POLYGON((-75 4,-75 6,-72 6,-72 4,-75 4))"
 ]
}

 The dataset includes 315526 records from 277 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004597-150811131857512/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2cal4j
title: Occurrence Download

description: A dataset containing 283 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Calothorax pulcher Gould, 1859"
 ]
}

 The dataset includes 283 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004597-151016162008034/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kz7b2j
title: Occurrence Download

description: A dataset containing 116 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Mamíferos del municipio El Carmen de Chucurí, Santander - Proyecto Santander BIO"
 ]
}

 The dataset includes 116 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0039632-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6seupv
title: Occurrence Download

description: A dataset containing 17 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pegomya furva (Ringdahl, 1938)"
 ]
}

 The dataset includes 17 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004597-160526112335914/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r9556k
title: Occurrence Download

description: A dataset containing 40289 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((5.8971 43.44673,3.38191 43.70251,2.35878 42.29571,0.95198 41.18732,0.18463 40.67575,-0.58272 39.82315,-0.62534 38.71476,-1.819 37.649,-3.60948 36.92428,-5.01628 36.88165,-5.69837 36.15693,-5.31469 35.21906,-4.03578 34.87802,-1.56322 34.92065,0.73883 36.07167,4.10663 36.71113,6.53656 36.92428,9.30754 36.6685,10.71434 36.71113,10.92749 35.43222,10.67171 34.53698,9.78092 34.00279,11.18328 33.47122,12.63271 32.78913,14.21003 32.61861,15.40369 32.27757,15.99454 31.23022,17.24154 31.18403,19.53884 30.06078,20.6046 30.95602,20.43407 31.93652,21.28668 32.7465,22.5656 32.83176,24.69712 31.72337,27.59599 31.04128,29.77014 30.57235,31.00642 31.29706,33.86265 31.04128,35.01368 31.51022,35.86628 33.38595,36.20732 35.51747,36.17746 36.86481,34.50211 36.88165,33.56424 36.41271,32.20007 36.41271,30.92116 37.0948,29.89802 36.32745,29.25857 36.71113,27.21231 37.30795,26.14655 40.63312,24.82501 40.93154,22.77875 40.54786,22.90664 39.26895,24.35607 38.50161,21.49983 38.33108,19.53884 40.12156,19.36831 41.91204,13.17724 45.91711,11.79169 45.08577,14.2953 42.4236,18.51571 40.07893,17.00078 40.48325,16.6826 39.43947,16.08577 38.03267,15.74473 39.14106,15.53158 40.24945,9.90436 44.04356,9.22228 44.68301,5.8971 43.44673))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is one of (Gracilaria Greville, 1830, Padina pavonica (L.) Thivy, Lithophyllum flavescens Keats, 1997, Lithophyllum stictiforme (Areschoug) Hauck, Caulerpa cylindracea Sonder, 1845, Caulerpa taxifolia (M.Vahl) C.Agardh, Codium Stackhouse, 1797, Cystoseira zosteroides C.Agardh, 1821, Sargassum muticum (Yendo) Fensholt, Sargassum vulgare C.Agardh, Zostera noltii Hornem., Zostera marina L., Cymodocea nodosa (Ucria) Asch., Posidonia oceanica (L.) Delile)"
 ]
}

 The dataset includes 40289 records from 157 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0140809-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yykcnk
title: Occurrence Download

description: A dataset containing 120 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Quercus floribunda Lindl. ex A.Camus"
 ]
}

 The dataset includes 120 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004597-160623103540712/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ah6k8s
title: Occurrence Download

description: A dataset containing 37 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Passiflora subulata Mast."
 ]
}

 The dataset includes 37 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0140822-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.i5uhip
title: Occurrence Download

description: A dataset containing 173678 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "DatasetKey is Mammalogy Collection - Royal Ontario Museum"
 ]
}

 The dataset includes 173678 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004597-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5rnem3
title: Occurrence Download

description: A dataset containing 39 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Triatoma carrioni Larrousse, 1926",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil)"
 ]
 }
 }
 ]
}

 The dataset includes 39 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026046-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rzx89n
title: Occurrence Download

description: A dataset containing 843134 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON ((35.924964333333335 48.58410666666667, 35.924964333333335 65.67073733333334, 1.8796086666666671 65.67073733333334, 1.8796086666666671 48.58410666666667, 35.924964333333335 48.58410666666667))",
 "EventDate is 2019-12-01,2019-12-31"
 ]
}

 The dataset includes 843134 records from 226 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026048-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4jira7
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cyrtandra jonesii (F.Br.) G.W.Gillett",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 4 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004597-170714134226665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zwgsu4
title: Occurrence Download

description: A dataset containing 29 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Passiflora telesiphe S.Knapp & Mallet"
 ]
}

 The dataset includes 29 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0140846-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ploqma
title: Occurrence Download

description: A dataset containing 69158 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rumex hydrolapathum (Scop.) Huds."
 ]
}

 The dataset includes 69158 records from 236 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004597-171002173027117/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ugu9n3
title: Occurrence Download

description: A dataset containing 1104457 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (Mexico, Guatemala, Belize, Honduras, El Salvador, Nicaragua, Costa Rica, Panama, Colombia)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Mammalia"
 ]
}

 The dataset includes 1104457 records from 820 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0032333-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.24435/materialscloud:59-sm
title: Characterization of chemisorbed species and active adsorption sites in Mg-Al mixed metal oxides for high temperature CO2 capture

description: Mg-Al mixed metal oxides (MMOs), derived from the decomposition of layered double hydroxides (LDHs), have been purposed as a material for CO2 capture of industrial plant emissions. In order to aid in the design and optimization of these materials for CO2 capture at 200 °C, we have used the combination of solid-state nuclear magnetic resonance (ssNMR) and density functional theory (DFT) to characterize the CO2 gas sorption products and determine the various sorption sites in the Mg-Al MMOs. Comparison of DFT cluster calculations with 13C chemical shift of the chemisorbed products indicates that mono and bi-dentate carbonate are formed at the Mg-O site with an adjacent Al substitution of an Mg atom, while bicarbonate is formed at Mg-OH sites without adjacent Al substitution. Quantitative 13C NMR shows an increase in the relative amount of strongly basic sites, where the monodentate carbonate product is formed, with increasing Al mole % in the MMO. This detailed understanding of the various basic Mg-O sites presents in the MMO material, and the formation of the carbonate, bidentate carbonate and bicarbonate chemisorbed species yields new insight into the mechanism of CO2 adsorption at 200 °C which can further aid in the design and capture capacity optimization of the materials.
DOI: 10.24435/materialscloud:jn-44
title: A dataset for beta-glycine with Wannier centers

description: The beta-glycine dataset is created with the purpose of validating the electron machine learning potential (eMLP) on crystalline beta glycine. It contains 25,676 configurations with normal mode perturbations for the nuclei and unit cell and electric field perturbations. Energies, forces and Wannier centers are computed using density functional theory (DFT) with the PBE functional and a Plane-Wave basis set in the ab-initio quantum chemistry code QuantumESPRESSO.
DOI: 10.24435/materialscloud:kp-yt
title: A dataset for beta-glycine with Wannier centers

description: The beta-glycine dataset is created with the purpose of validating the electron machine learning potential (eMLP) on crystalline beta glycine. It contains 25,676 configurations with normal mode perturbations for the nuclei and unit cell and electric field perturbations. Energies, forces and Wannier centers are computed using density functional theory (DFT) with the PBE functional and a Plane-Wave basis set in the ab-initio quantum chemistry code QuantumESPRESSO.
DOI: 10.24435/materialscloud:s0-24
title: Data-driven simulation and characterisation of gold nanoparticles melting

description: We develop efficient, accurate, transferable, and interpretable machine learning force fields for Au nanoparticles, based on data gathered from Density Functional Theory calculations. We then use them to investigate the thermodynamic stability of Au nanoparticles of different sizes (1 to 6 nm), containing up to 6266 atoms, with respect to a solid-liquid phase change through molecular dynamics simulations. We predict nanoparticle melting temperatures in good agreement with respect to available experimental data. Furthermore, we characterize in detail the solid to liquid phase change mechanism employing an unsupervised learning scheme to categorize local atomic environments. We thus provide a rigorous and data-driven definition of liquid atomic arrangements in the inner and surface regions of a nanoparticle, and employ it to show that melting initiates at the outer layers. 

The record contains all the MD simulation trajectories carried out using mapped machine learning force fields in LAMMPS, the machine learning force fields as LAMMPS pair potentials, and the ab initio training data used to construct such force fields.
DOI: 10.24435/materialscloud:jd-we
title: Data-driven simulation and characterisation of gold nanoparticles melting

description: We develop efficient, accurate, transferable, and interpretable machine learning force fields for Au nanoparticles, based on data gathered from Density Functional Theory calculations. We then use them to investigate the thermodynamic stability of Au nanoparticles of different sizes (1 to 6 nm), containing up to 6266 atoms, with respect to a solid-liquid phase change through molecular dynamics simulations. We predict nanoparticle melting temperatures in good agreement with respect to available experimental data. Furthermore, we characterize in detail the solid to liquid phase change mechanism employing an unsupervised learning scheme to categorize local atomic environments. We thus provide a rigorous and data-driven definition of liquid atomic arrangements in the inner and surface regions of a nanoparticle, and employ it to show that melting initiates at the outer layers. 

The record contains all the MD simulation trajectories carried out using mapped machine learning force fields in LAMMPS, the machine learning force fields as LAMMPS pair potentials, and the ab initio training data used to construct such force fields.
DOI: 10.24435/materialscloud:9b-fv
title: Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces

description: Material-specific calculations based on density functional theory play a major role in understanding and designing the properties of quantum matter. In the field of topological quantum computing there is an intense search for material systems that have the ability to realize Majorana zero modes. The ability to combine the accurate electronic structure, that is accessible from density functional theory, with superconductivity can help gaining material-specific insights and may contribute to the understanding and realization of Majorana zero modes in solid state systems. In this work we report on our implementation of the Bogoliubov-de Gennes method into the JuKKR code [https://jukkr.fz-juelich.de], an implementation of the all-electron, full-potential Korringa-Kohn-Rostoker Green function method, which allows a material-specific description of inhomogeneous superconductors and heterostructures on the basis of density functional theory. We describe the formalism and report on calculations for the s-wave superconductor Nb. We compare the properties of the superconducting state both in the bulk and for (110) thin films of different thickness. We comment on the importance of spin-orbit coupling, the effect of surface relaxations and the influence of a softening of phonon modes on the surface for the resulting superconducting gap.

This dataset contains the Fleur and KKR calculations that were done in this study using the AiiDA-Fleur and AiiDA-KKR plugins and a tutorial that introduces the practical use of AiiDA-KKR for BdG calculations.
DOI: 10.24435/materialscloud:wf-dx
title: Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces

description: Material-specific calculations based on density functional theory play a major role in understanding and designing the properties of quantum matter. In the field of topological quantum computing there is an intense search for material systems that have the ability to realize Majorana zero modes. The ability to combine the accurate electronic structure, that is accessible from density functional theory, with superconductivity can help gaining material-specific insights and may contribute to the understanding and realization of Majorana zero modes in solid state systems. In this work we report on our implementation of the Bogoliubov-de Gennes method into the JuKKR code [https://jukkr.fz-juelich.de], an implementation of the all-electron, full-potential Korringa-Kohn-Rostoker Green function method, which allows a material-specific description of inhomogeneous superconductors and heterostructures on the basis of density functional theory. We describe the formalism and report on calculations for the s-wave superconductor Nb. We compare the properties of the superconducting state both in the bulk and for (110) thin films of different thickness. We comment on the importance of spin-orbit coupling, the effect of surface relaxations and the influence of a softening of phonon modes on the surface for the resulting superconducting gap.

This dataset contains the Fleur and KKR calculations that were done in this study using the AiiDA-Fleur and AiiDA-KKR plugins and a tutorial that introduces the practical use of AiiDA-KKR for BdG calculations.