MLIP-3: Active learning on atomic environments with moment tensor potentials.

Podryabinkin, Evgeny; Garifullin, Kamil; Shapeev, Alexander; Novikov, Ivan.

Afiliación

Podryabinkin E; Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Bolshoy boulevard 30, Moscow 143026, Russian Federation.
Garifullin K; Moscow Institute of Physics and Technology, Institutsky per., 9, Dolgoprudny, Moscow region, 141700 Russian Federation.
Shapeev A; Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Bolshoy boulevard 30, Moscow 143026, Russian Federation.
Novikov I; Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Bolshoy boulevard 30, Moscow 143026, Russian Federation.

J Chem Phys ; 159(8)2023 Aug 28.

Article en En | MEDLINE | ID: mdl-37638620

Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2023 Tipo del documento: Article

Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2023 Tipo del documento: Article