Generating High-Precision Force Fields for Molecular Dynamics Simulations to Study Chemical Reaction Mechanisms using Molecular Configuration Transformer

Fuente: arXiv

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Bibliographic Details
Main Authors:	Yuan, Sihao, Han, Xu, Zhang, Jun, Xie, Zhaoxin, Fan, Cheng, Xiao, Yunlong, Gao, Yi Qin, Yang, Yi Isaac
Format:	Preprint
Published:	2023
Subjects:	Chemical Physics Soft Condensed Matter Artificial Intelligence
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2401.00499