Macro-Dipole-Constrainted Learning of Atomic Charges for Accurate Electrostatic Potentials at Electrochemical Interfaces

Fuente: arXiv

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Bibliographic Details
Main Authors:	Yang, Jing, Li, Bingxin, Mattoso, Samuel, Abdelkawy, Ahmed, Todorova, Mira, Neugebauer, Jörg
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2510.01042