General Framework for Geometric Deep Learning on Tensorial Properties of Molecules and Crystals
Year: 2025
Type: article
Language: en
Topic: Machine Learning in Materials Science
Authors and affiliations:
raw_author_name: Wenjie Yan
raw_affiliation_strings: Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry
Fudan University
Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry, Fudan University, 200433 Shanghai, People's Republic of China
raw_author_name: Xinming Lai
raw_affiliation_strings: Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry
Fudan University
Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry, Fudan University, 200433 Shanghai, People's Republic of China
raw_author_name: Yicheng Chen
raw_affiliation_strings: Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry
Fudan University
Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry, Fudan University, 200433 Shanghai, People's Republic of China
raw_author_name: Wenhao Zhang
raw_affiliation_strings: Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry
Fudan University
Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry, Fudan University, 200433 Shanghai, People's Republic of China
raw_author_name: Jianming Wu
raw_affiliation_strings: Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry
Fudan University
Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry, Fudan University, 200433 Shanghai, People's Republic of China
raw_author_name: Xin Xu
raw_affiliation_strings: Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry
Fudan University
Hefei National Laboratory
Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, MOE Key Laboratory of Computational Physical Sciences, Research Center for Chemical Theory, Department of Chemistry, Fudan University, 200433 Shanghai, People's Republic of China
Hefei National Laboratory, 230088 Hefei, People's Republic of China