most citedConstant Potential and Constrained Charge Ensembles for Simulations of Conductive Electrodes

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

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1 paper

cond-mat.mtrl-sci2023★ 21 cited

Constant Potential and Constrained Charge Ensembles for Simulations of Conductive Electrodes

Shern Ren Tee, Debra J. Searles

Constant potential method molecular dynamics simulation (CPM MD) enables the accurate modelling of atomistic electrode charges when studying the electrode-electrolyte interface at…