Improving the Accuracy of Composite Methods: A G4MP2 Method with G4-like Accuracy and Implications for Machine Learning.

Dandu, Naveen K; Assary, Rajeev S; Redfern, Paul C; Ward, Logan; Foster, Ian; Curtiss, Larry A

Dandu, Naveen K; Assary, Rajeev S; Redfern, Paul C; Ward, Logan; Foster, Ian; Curtiss, Larry A.

Afiliación

Dandu NK; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439 United States.
Assary RS; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois 60439 United States.
Redfern PC; Chemical Engineering Department, University of Illinois-Chicago, Chicago, Illinois 60607 United States.
Ward L; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439 United States.
Foster I; Joint Center for Energy Storage Research, Argonne National Laboratory, Lemont, Illinois 60439 United States.
Curtiss LA; Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439 United States.

J Phys Chem A ; 126(27): 4528-4536, 2022 Jul 14.

Article en En | MEDLINE | ID: mdl-35786965

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem A Asunto de la revista: QUIMICA Año: 2022 Tipo del documento: Article Pais de publicación: Estados Unidos

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