Category-specific topological learning of metal–organic frameworks

Chen, Dong [Department of Mathematics, Michigan State University, MI, 48824, USA]; Chen, Chun-Long [Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:000000025584824X); Wei, Guo-Wei [Department of Mathematics, Michigan State University, MI, 48824, USA, Department of Electrical and Computer Engineering, Michigan State University, MI 48824, USA, Department of Biochemistry and Molecular Biology, Michigan State University, MI 48824, USA] (ORCID:0000000181325998)

doi:10.1039/d4ta08877h

DOE OSTI · 2538708

Category-specific topological learning of metal–organic frameworks

Chen, Dong [Department of Mathematics, Michigan State University, MI, 48824, USA]·Chen, Chun-Long [Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:000000025584824X)·Wei, Guo-Wei [Department of Mathematics, Michigan State University, MI, 48824, USA, Department of Electrical and Computer Engineering, Michigan State University, MI 48824, USA, Department of Biochemistry and Molecular Biology, Michigan State University, MI 48824, USA] (ORCID:0000000181325998)

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Abstract

Category-specific topological learning enables efficient and accurate prediction of various properties of metal–organic frameworks.

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Gas selectivity Metal-Organic Framework Multiscale Topology Persistent homology

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Chen, Dong [Department of Mathematics, Michigan State University, MI, 48824, USA], Chen, Chun-Long [Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99354, USA] (ORCID:000000025584824X), Wei, Guo-Wei [Department of Mathematics, Michigan State University, MI, 48824, USA, Department of Electrical and Computer Engineering, Michigan State University, MI 48824, USA, Department of Biochemistry and Molecular Biology, Michigan State University, MI 48824, USA] (ORCID:0000000181325998). 2025-03-25. Category-specific topological learning of metal–organic frameworks. https://doi.org/10.1039/d4ta08877h

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