High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites.

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作者： Yongjin,Lee ^[1] ; Senja D,Barthel ^[2] ; Paweł,Dłotko ^[1] ; Seyed Mohamad,Moosavi ^[3] ; Kathryn,Hess ^[1] ; Berend,Smit ^[4]

作者单位： Institut des Sciences et Ingéniere Chimiques, Valais , Ecole Polytechnique Fédérale de Lausanne (EPFL) , Rue de l'Industrie 17 , CH-1951 Sion , Switzerland. ^[1] School of Physical Science and Technology , ShanghaiTech University , Shanghai 201210 , China. ^[2] Department of Mathematics and Swansea Academy of Advanced Computing , Swansea University , Singleton Park, Swansea SA28PP , United Kingdom. ^[3] SV BMI UPHESS, Ecole Polytechnique Fédérale de Lausanne (EPFL) , CH-1015 Lausanne , Switzerland. ^[4] Department of Chemical and Biomolecular Engineering , University of California at Berkeley , Berkeley , California 94720 , United States. ^[5]

DOI 10.1021/acs.jctc.8b00253

PMID 29986145

发布时间 2019-12-28

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Journal of chemical theory and computation

2018年14卷8期

4427-4437页

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High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites.

Journal of chemical theory and computation

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Journal of chemical theory and computation

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High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites.

Journal of chemical theory and computation

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Journal of chemical theory and computation

相关期刊

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