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• W3204129194 abstract "An active learning protocol is introduced to sequentially build surrogate models for predicting gas adsorption. The method is shown to work for methane and carbon dioxide adsorption in Cu–BTC MOF for isotherms and pressure–temperature phase space." @default.
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• W3204129194 date "2022-01-01" @default.
• W3204129194 modified "2023-10-16" @default.
• W3204129194 title "Sequential design of adsorption simulations in metal–organic frameworks" @default.
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• W3204129194 doi "https://doi.org/10.1039/d1me00138h" @default.
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