most citedA Simple and Efficient Lattice Summation Method for Metallic Electrodes in Constant Potential Molecular Dynamics Simulation

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physics.chem-ph2021★ 1 cited

A Simple and Efficient Lattice Summation Method for Metallic Electrodes in Constant Potential Molecular Dynamics Simulation

Haoyu Li, Peiyao Wang, Jefferson Zhe Liu +1

The constant potential molecular dynamics simulation method proposed by Siepmann and Sprik and reformulated later by Reed (SR-CPM) has been widely employed to investigate the metal…