Application-specific machine-learned interatomic potentials: exploring the trade-off between DFT convergence, MLIP expressivity, and computational cost

Fuente: arXiv

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Bibliographic Details
Main Authors:	Baghishov, Ilgar, Janssen, Jan, Henkelman, Graeme, Perez, Danny
Format:	Preprint
Published:	2025
Subjects:	Computational Physics Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2506.05646