How Accurate Are DFT Forces? Unexpectedly Large Uncertainties in Molecular Datasets

Fuente: arXiv

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Bibliographic Details
Main Authors:	Kuryla, Domantas, Berger, Fabian, Csányi, Gábor, Michaelides, Angelos
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2510.19774