MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals
MolCryst-MLIPs:用于分子晶体的机器学习互原子势数据库
Adam Lahouari, Shen Ai, Jihye Han, Jillian Hoffstadt, Philipp Hoellmer, Charlotte Infante, Pulkita Jain, Sangram Kadam, Maya M. Martirossyan, Amara McCune, Hypatia Newton, Shlok J. Paul, Willmor Pena, Jonathan Raghoonanan, Sumon Sahu, Oliver Tan, Andrea Vergara, Jutta Rogal, Mark E. Tuckerman
机构
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Department of Chemistry, New York University(纽约大学化学系)
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New York University(纽约大学)
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Simons Center for Computational Physical Chemistry, New York University(纽约大学计算物理化学中心)
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Department of Physics, New York University(纽约大学物理系)
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Department of Chemical and Biomolecular Engineering, Tandon School of Engineering, New York University(纽约大学工程学院化学与生物分子工程系)
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New York University Shanghai(纽约大学上海分校)