Fitting Potential Energy Surfaces by Learning the Charge Density Matrix with Permutationally Invariant Polynomials.

Hashem, Younos; Foust, Katheryn; Kaledin, Martina; Kaledin, Alexey L

Hashem, Younos; Foust, Katheryn; Kaledin, Martina; Kaledin, Alexey L.

Afiliação

Hashem Y; Department of Chemistry & Biochemistry, Kennesaw State University, 370 Paulding Ave NW, Box # 1203, Kennesaw 30144, Georgia.
Foust K; Department of Chemistry & Biochemistry, Kennesaw State University, 370 Paulding Ave NW, Box # 1203, Kennesaw 30144, Georgia.
Kaledin M; Department of Chemistry & Biochemistry, Kennesaw State University, 370 Paulding Ave NW, Box # 1203, Kennesaw 30144, Georgia.
Kaledin AL; Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, 1515 Dickey Drive, Atlanta 30322, Georgia.

J Chem Theory Comput ; 19(17): 5690-5700, 2023 Sep 12.

Article em En | MEDLINE | ID: mdl-37561135

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article