most citedIon Pair Free Energy Surface as a Probe of Ionic Liquid Structure

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cond-mat.mtrl-sci2024

Accounting for the Quantum Capacitance of Graphite in Constant Potential Molecular Dynamics Simulations

Kateryna Goloviznina, Johann Fleischhaker, Tobias Binninger +6

Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, therm…