Combined Deep Learning and Classical Potential Approach for Modeling Diffusion in UiO-66
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jun 02, 2022
- Source ID
- 10.1021/acs.jctc.2c00010
Entities
People
- Jacob J. Wardzala
- Karl Johnson
- Leonardo Bernasconi
- Linfeng Zhang
- Siddarth K. Achar
Organizations
- Army Research Office
- National Science Foundation
- University of Pittsburgh