Estimating potential-dependent physicochemical properties at metal--electrolyte interfaces using machine learning interatomic potentials (Part 3)

This record is the third part of the dataset supporting our associated publication. It contains MACE molecular dynamics trajectories for electrolyte–Rh(111) interfaces. These simulations were used to analyze water structure, ion distributions, and interfacial properties. Related datasets for Au(111) and Cu(111) trajectories are available at DOI: 10.5281/zenodo.17754595 and DOI: 10.5281/zenodo.17756911. Additional methodological and scientific details are provided in the associated publication (https://doi.org/10.1021/acselectrochem.5c00540).