Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing units.

Armstrong, Blake; Silvestri, Alessandro; Demichelis, Raffaella; Raiteri, Paolo; Gale, Julian D

Armstrong, Blake; Silvestri, Alessandro; Demichelis, Raffaella; Raiteri, Paolo; Gale, Julian D.

Afiliação

Armstrong B; Curtin Institute for Computation/The Institute for Geoscience Research (TIGeR), School of Molecular and Life Sciences, Curtin University, PO Box U1987, Perth, WA 6845, Australia.
Silvestri A; Curtin Institute for Computation/The Institute for Geoscience Research (TIGeR), School of Molecular and Life Sciences, Curtin University, PO Box U1987, Perth, WA 6845, Australia.
Demichelis R; Curtin Institute for Computation/The Institute for Geoscience Research (TIGeR), School of Molecular and Life Sciences, Curtin University, PO Box U1987, Perth, WA 6845, Australia.
Raiteri P; Curtin Institute for Computation/The Institute for Geoscience Research (TIGeR), School of Molecular and Life Sciences, Curtin University, PO Box U1987, Perth, WA 6845, Australia.
Gale JD; Curtin Institute for Computation/The Institute for Geoscience Research (TIGeR), School of Molecular and Life Sciences, Curtin University, PO Box U1987, Perth, WA 6845, Australia.

Philos Trans A Math Phys Eng Sci ; 381(2250): 20220250, 2023 Jul 10.

Article em En | MEDLINE | ID: mdl-37211028

Palavras-chave

alkaline earth carbonates; force field; graphical processing unit; molecular dynamics

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Philos Trans A Math Phys Eng Sci Assunto da revista: BIOFISICA / ENGENHARIA BIOMEDICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Austrália

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