REST: Embracing the rust programming language for modern electronic structure theory
Year: 2025
Type: article
Language: en
Topic: Machine Learning in Materials Science
Authors and affiliations:
raw_author_name: Zhiyun Li
raw_affiliation_strings: Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Tianyi Gao
raw_affiliation_strings: Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Shirong Wang
raw_affiliation_strings: Hefei National Laboratory b , Hefei 230088,
Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Sheng Bi
raw_affiliation_strings: Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
Research Center for New Materials Computing, Zhejiang Lab c , Hangzhou 311100,
raw_author_name: Rulin Feng
raw_affiliation_strings: Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Zhenyu Zhu
raw_affiliation_strings: Hefei National Laboratory b , Hefei 230088,
Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Yilin Zhao
raw_affiliation_strings: Hefei National Laboratory b , Hefei 230088,
Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Wenjie Yan
raw_affiliation_strings: Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Lingyue Yu
raw_affiliation_strings: Hefei National Laboratory b , Hefei 230088,
Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Qirui Gao
raw_affiliation_strings: Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Zihan Lin
raw_affiliation_strings: Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Jianming Wu
raw_affiliation_strings: Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Igor Ying Zhang
raw_affiliation_strings: Hefei National Laboratory b , Hefei 230088,
Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,
raw_author_name: Xin Xu
raw_affiliation_strings: Hefei National Laboratory b , Hefei 230088,
Research Center for Chemical Theory, State Key Laboratory of Porous Materials for Separation and Conversion, Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University a , Shanghai 200433,