TY  - RPRT
TI  - Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models
AU  - Blanchard, Andrew
AU  - Zhang, Pei
AU  - Bhowmik, Debsindhu
AU  - Mehta, Kshitij
AU  - Gounley, John
AU  - Reeve, Sam
AU  - Irle, Stephan
AU  - Lupo Pasini, Massimiliano
PY  - 2022
UR  - https://www.osti.gov/biblio/1959628
ID  - 1959628
ER  -