Unsupervised learning of representative local atomic arrangements in molecular dynamics data.

Roncoroni, Fabrice; Sanz-Matias, Ana; Sundararaman, Siddharth; Prendergast, David

Roncoroni, Fabrice; Sanz-Matias, Ana; Sundararaman, Siddharth; Prendergast, David.

Afiliación

Roncoroni F; Joint Center for Energy Storage Research, The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA. dgprendergast@lbl.gov.
Sanz-Matias A; Joint Center for Energy Storage Research, The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA. dgprendergast@lbl.gov.
Sundararaman S; Joint Center for Energy Storage Research, The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA. dgprendergast@lbl.gov.
Prendergast D; Joint Center for Energy Storage Research, The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA. dgprendergast@lbl.gov.

Phys Chem Chem Phys ; 25(19): 13741-13754, 2023 May 17.

Article en En | MEDLINE | ID: mdl-37158399

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Reino Unido

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