Kitchin, John Boes, Jacob Groenenboom, Michell C. Supporting information for "Neural network and ReaxFF comparison for Au properties, Int. J. Quantum Chem., 116(13), 979–987 (2016)." 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. density functional theory;atomistic potential 2018-06-12
    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
10.6084/m9.figshare.1603022.v1