Dataset for "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interfaces".

<p>This is the dataset for the paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interfaces". </p> <p><br></p> <p>This dataset contains 18773 Au-water interface structures with different number of hydroxyls and oxygens.</p> <p><br></p> <p>The format of this dataset is ASE (Atomic Simulation Environment) default trajectory file, which can be directly read by ASE python package.</p>