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Combining Machine Learning and Molecular Simulations to Unlock Gas Separation Potentials of MOF Membranes and MOF/Polymer MMMs

[Image: see text] Due to the enormous increase in the number of metal-organic frameworks (MOFs), combining molecular simulations with machine learning (ML) would be a very useful approach for the accurate and rapid assessment of the separation performances of thousands of materials. In this work, we...

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Detalles Bibliográficos
Autores principales: Daglar, Hilal, Keskin, Seda
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9305976/
https://www.ncbi.nlm.nih.gov/pubmed/35818710
http://dx.doi.org/10.1021/acsami.2c08977