Accelerating crystal structure search through active learning with neural networks for rapid relaxations

Fuente: arXiv

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Dettagli Bibliografici
Autori principali:	Hessmann, Stefaan S. P., Schütt, Kristof T., Gebauer, Niklas W. A., Gastegger, Michael, Oguchi, Tamio, Yamashita, Tomoki
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Computational Physics J.2
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

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