HORM: A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials

Fuente: arXiv
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Bibliographic Details
Main Authors: Cui, Taoyong, Han, Yunhong, Jia, Haojun, Duan, Chenru, Zhao, Qiyuan
Format: Preprint
Published: 2025
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