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pro vyhledávání: '"Yamil Colon"'
Publikováno v:
Journal of Chemical & Engineering Data. 68:291-302
Publikováno v:
Molecular Systems Design & Engineering. 7:248-259
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
Autor:
James Carpenter, Yamil Colon
Publikováno v:
The Journal of Chemical Physics. 158:074901
Soft porous coordination polymers (SPCPs) are materials with exceptional potential because of their ability to incorporate the properties of nominally rigid porous materials like metal–organic frameworks (MOFs) and those of soft matter, such as pol