10.6084/m9.figshare.1603022.v1 John Kitchin John Kitchin Jacob Boes Jacob Boes Michell C. Groenenboom Michell C. Groenenboom Supporting information for "Neural network and ReaxFF comparison for Au properties, Int. J. Quantum Chem., 116(13), 979–987 (2016)." Carnegie Mellon University 2018 density functional theory atomistic potential 2018-06-12 00:00:00 Dataset https://kilthub.cmu.edu/articles/dataset/Supporting_information_for_Neural_network_and_ReaxFF_comparison_for_Au_properties_Int_J_Quantum_Chem_116_13_979_987_2016_/6499292 This dataset contains the database files, ReaxFF files, and org files that describe the work in the manuscript, and how the figures were made from the data.