Iterative charge equilibration for fourth-generation high-dimensional neural network potentials

Fuente: arXiv

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Bibliographic Details
Main Authors:	Kocer, Emir, Singraber, Andreas, Finkler, Jonas A., Misof, Philipp, Ko, Tsz Wai, Dellago, Christoph, Behler, Jörg
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2502.07907