Active learning for efficient navigation of multi-component gas adsorption landscapes in a MOF

Digital Discovery, 2023, 2,1506-1521
DOI: 10.1039/D3DD00106G, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Krishnendu Mukherjee, Etinosa Osaro, Yamil J. Colón
We present the development of an active learning framework to model multicomponent gas adsorption in metal–organic frameworks.
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