Crystal structure prediction with nuclear quantum and finite-temperature effects via deep free energy learning

Fuente: arXiv

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Bibliographic Details
Main Authors:	Wang, Xiaoyang, Wang, Yinan, Zhao, Wenbo, Liu, Hanyu, Xie, Hao, Wang, Lei, Wang, Han
Format:	Preprint
Published:	2026
Subjects:	Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2604.20230