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April 15, 2026cs.LGphysics.comp-ph
MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals
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
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cs.LG, physics.comp-ph