Multi-fidelity Bayesian optimization of covalent organic frameworks for xenon/krypton separations
Abstract
We employ multi-fidelity Bayesian optimization to search a large candidate set of covalent organic frameworks (COFs) for the one with the largest [simulated] equilibrium adsorptive selectivity for xenon (Xe) over krypton (Kr) at room temperature.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2023
- Source ID
- 10.1039/d3dd00117b
Entities
People
- Aryan Deshwal
- Cory M Simon
- Janardhan Rao Doppa
- Nickolas Gantzler
Organizations
- Defense Threat Reduction Agency
- National Science Foundation
- Oregon State University
- Washington State University