Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jul 20, 2022
- Source ID
- 10.1021/acs.jctc.2c00396
Entities
People
- Jiace Sun
- Lixue Cheng
- Thomas Miller
Organizations
- California Institute of Technology
- The Camille and Henry Dreyfus Foundation
- United States Army Research Laboratory
- United States Department of Energy