Data for "Machine Learning the Energetics of Electrified Solid/Liquid Interfaces"

This Dataset contains the data required to reproduce the publication "Machine Learning the Energetics of Electrified Solid/Liquid Interfaces" (Phys. Rev. Lett. 135, 146201, DOI: doi.org/10.1103/lm64-m3bn, preprint: doi.org/10.48550/arXiv.2505.19745) It contains: Training structures for the Cu(100)-OH and H2O example Machine-Learned interatomic potentials (MLIPs); training files for the Cu(100)-OH and H2O examples; molecular dynamics trajectories, including the potential energies and work functions, from the Cu(100)-OH example in the publication.