Data-Driven Many-Body Potential Energy Functions for Generic Molecules: Linear Alkanes as a Proof-of-Concept Application.

Bull-Vulpe, Ethan F; Riera, Marc; Bore, Sigbjørn L; Paesani, Francesco.

Bull-Vulpe EF; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States.
Riera M; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States.
Bore SL; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States.
Paesani F; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States.

J Chem Theory Comput ; 19(14): 4494-4509, 2023 Jul 25.

Article en En | MEDLINE | ID: mdl-36113028

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2023 Tipo del documento: Article

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2023 Tipo del documento: Article