A dual-cutoff machine-learned potential for condensed organic systems obtained via uncertainty-guided active learning

Fuente: arXiv

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Bibliographic Details
Main Authors:	Kahle, Leonid, Minisini, Benoit, Bui, Tai, First, Jeremy T., Buda, Corneliu, Goldman, Thomas, Wimmer, Erich
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2408.03058