Machine Learning Models Predict Calculation Outcomes with the Transferability Necessary for Computational Catalysis
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jun 23, 2022
- Source ID
- 10.1021/acs.jctc.2c00331
Entities
People
- Aditya Nandy
- Chenru Duan
- Heather J. Kulik
- Husain Adamji
- Yuriy Román-Leshkov
Organizations
- Alfred P. Sloan Foundation
- American Association for the Advancement of Science
- Burroughs Wellcome Fund
- Defense Advanced Research Projects Agency
- Massachusetts Institute of Technology
- National Science Foundation
- Office of Naval Research
- United States Department of Energy