High-performance training and inference for deep equivariant interatomic potentials

Fuente: arXiv

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Bibliographic Details
Main Authors:	Tan, Chuin Wei, Descoteaux, Marc L., Kotak, Mit, Nascimento, Gabriel de Miranda, Kavanagh, Seán R., Zichi, Laura, Wang, Menghang, Saluja, Aadit, Hu, Yizhong R., Smidt, Tess, Johansson, Anders, Witt, William C., Kozinsky, Boris, Musaelian, Albert
Format:	Preprint
Published:	2025
Subjects:	Computational Physics Machine Learning Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2504.16068