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

dataset_for_machine_learning_prediction_accurate_atomization_energies_organic_molecules_from_lowfidelity_quantum_chemical_calculations