Active learning for efficient navigation of multi-component gas adsorption landscapes in a MOF
Krishnendu Mukherjee, Etinosa Osaro, Yamil J. Colón
Abstract
We present the development of an active learning framework to model multicomponent gas adsorption in metal–organic frameworks.
Topics & Concepts
Component (thermodynamics)AdsorptionComputer scienceMaterials scienceChemistryEnvironmental sciencePhysicsOrganic chemistryThermodynamicsMetal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceEnhanced Oil Recovery Techniques