Long-Range Dynamic Oxygen Spillover at the Cu/CeO₂ Interface

Freezed and compressed Ce-O-Cu model (frozen_model-00*-compress.pb): The trained DPMD model used for in our study. Ce-O-Cu dataset (dataset.tar.gz): Contains the training datasets for Cu/CeO2 system in DeePMD-kit format. Each image is labeled with coordinations (coord.npy) in Å, total energies (energy.npy) in eV, force (force.npy) in eV/Å, and cell parameters (box.npy) in Å. DPMD-files (dpmd-files): Input file example utilized for dpmd; trajectories of the Cu/CeO2 system DFT-files (dpmd-files-1&2): Input file example utilized for DFT; trajectories of the Cu/CeO2 system; reverse oxygen spillover analysis