Understanding the ML black box with simple descriptors to predict cluster–adsorbate interaction energy

Files

2020_Understanding_the_ML_black_box_with_simple_descriptors_to_predict_cluster–adsorbate_interaction_energy.pdf (4.42 MB)

Date

Authors

Agarwal, Sheena

Publisher

Royal Society of Chemistry

Keywords

Artificial Intelligence , Quantum Chemistry , Density Functional Theory

Citation

New J. Chem., 2020, 44, 8545

URI

http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/6186

Collections

NCL Publications