Detail

Dataset for Machine Learning Prediction of Accurate Atomization Energies of Organic Molecules from Low-Fidelity Quantum Chemical Calculations

Ward, Logan; Blaiszik, Ben; Foster, Ian; Assary, Rajeev; Narayanan, Badri; Curtiss, Larry

Organizations

CHiMaD

Year

2019

Source Name

wardlogan_machine_learning_calculations

DOI

10.18126/M2V65Z View on Datacite