RAZOR machine-learns the work function and Born charges of electrified interfaces, enabling bias-dependent molecular dynamics that predicts a pH-driven OH adsorption site switch on Cu(100).
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Machine Learning the Energetics of Electrified Solid/Liquid Interfaces
RAZOR machine-learns the work function and Born charges of electrified interfaces, enabling bias-dependent molecular dynamics that predicts a pH-driven OH adsorption site switch on Cu(100).