A general-purpose machine-learning force field for bulk and nanostructured phosphorus

Atomistic simulations of phosphorus represent a challenge due to the element’s highly diverse allotropic structures. Here the authors propose a general-purpose machine-learning force field for elemental phosphorus, which can describe a broad range of relevant bulk and nanostructured allotropes.

Guardado en:
Detalles Bibliográficos
Autores principales: Volker L. Deringer, Miguel A. Caro, Gábor Csányi
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
Materias:
Q
Acceso en línea:https://doaj.org/article/7d1920e3b9eb483f990f704cafbd6cea
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!