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vasp-mace: a VASP simulator based on the MACE machine-learning interatomic potential

Fuente: Zenodo

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Dettagli Bibliografici
Autore principale:	Grau-Crespo, Ricardo
Natura:	Recurso digital
Pubblicazione:	Zenodo 2026
Soggetti:	MACE machine learning potentials molecular dynamics geometry relaxation VASP atomistic simulation materials science
Accesso online:	Acceder al recurso
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