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Beyond Force Metrics: Pre-Training MLFFs for Stable MD Simulations

Fuente: arXiv

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Bibliographic Details
Main Authors:	Maheshwari, Shagun, Tang, Zhengxian, Ock, Janghoon, Kolluru, Adeesh, Farimani, Amir Barati, Kitchin, John R.
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics Machine Learning
Online Access:	Acceder al recurso
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