Article ; Online: Evaluating CH
ACS applied materials & interfaces
2023
Abstract: Considering the large abundance and diversity of metal-organic frameworks (MOFs), evaluating the gas adsorption and separation performance of the entire MOF material space using solely experimental techniques or brute-force computer simulations is ... ...
Abstract | Considering the large abundance and diversity of metal-organic frameworks (MOFs), evaluating the gas adsorption and separation performance of the entire MOF material space using solely experimental techniques or brute-force computer simulations is impractical. In this study, we integrated high-throughput molecular simulations with machine learning (ML) to explore the potential of both synthesized, the real MOFs, and computer-generated, the hypothetical MOFs (hypoMOFs), for adsorption-based CH |
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Language | English |
Publishing date | 2023-12-11 |
Publishing country | United States |
Document type | Journal Article ; Review |
ISSN | 1944-8252 |
ISSN (online) | 1944-8252 |
DOI | 10.1021/acsami.3c13533 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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