Electrode

The ELECTRODE package implements the constant potential method (CPM) (Siepmann, Reed), and modern variants, to accurately model electrified, conductive electrodes. This is primarily useful for studying electrode-electrolyte interfaces, especially at high potential differences or ionicities, with non-planar electrodes such as nanostructures or nanopores, and to study dynamic phenomena such as charging or discharging time scales or conductivity or ionic diffusivities. more