MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals
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arXiv
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| Main Authors: | Lahouari, Adam, Ai, Shen, Han, Jihye, Hoffstadt, Jillian, Hoellmer, Philipp, Infante, Charlotte, Jain, Pulkita, Kadam, Sangram, Martirossyan, Maya M., McCune, Amara, Newton, Hypatia, Paul, Shlok J., Pena, Willmor, Raghoonanan, Jonathan, Sahu, Sumon, Tan, Oliver, Vergara, Andrea, Rogal, Jutta, Tuckerman, Mark E. |
|---|---|
| Format: | Preprint |
| Published: |
2026
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