Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics. | Proc Natl Acad Sci U S A;120(46): e2302468120, 2023 Nov 14. | MEDLINE

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Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics.

Calegari Andrade, Marcos; Car, Roberto; Selloni, Annabella.

Affiliation

Calegari Andrade M; Chemistry Department, Princeton University, Princeton, NJ 08544.
Car R; Quantum Simulations Group, Materials Science Division, Lawrence Livermore National Laboratory, Livermore, CA 94550.
Selloni A; Chemistry Department, Princeton University, Princeton, NJ 08544.

Proc Natl Acad Sci U S A ; 120(46): e2302468120, 2023 Nov 14.

Article in En | MEDLINE | ID: mdl-37931100

Key words

enhanced sampling; liquid water; molecular dynamics; neural-network potentials; self-ionization

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Full text: 1 Database: MEDLINE Language: En Year: 2023 Type: Article

Search on Google

Full text: 1 Database: MEDLINE Language: En Year: 2023 Type: Article