most citedDeveloping machine-learned potentials to simultaneously capture the dynamics of excess protons and hydroxide ions in classical and path integral simulations

21 citations · 21 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2023★ 21 cited

Developing machine-learned potentials to simultaneously capture the dynamics of excess protons and hydroxide ions in classical and path integral simulations

Austin O. Atsango, Tobias Morawietz, Ondrej Marsalek +1

The transport of excess protons and hydroxide ions in water underlies numerous important chemical and biological processes. Accurately simulating the associated transport mechanism…