Energy-free machine learning force field for aluminum

Abstract We used the machine learning technique of Li et al. (PRL 114, 2015) for molecular dynamics simulations. Atomic configurations were described by feature matrix based on internal vectors, and linear regression was used as a learning technique. We implemented this approach in the LAMMPS code....

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Ivan Kruglov, Oleg Sergeev, Alexey Yanilkin, Artem R. Oganov
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
Materias:
R
Q
Acceso en línea:https://doaj.org/article/13e9687800914490b751cb5d5f07ee43
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares