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

Authors:
ORCiD logo [1] ; ORCiD logo [2] ;  [3] ; ORCiD logo [2] ;  [4] ; ORCiD logo [5]
  1. Institut des Sciences et Ingéniere Chimiques, Valais, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland, School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China
  2. Institut des Sciences et Ingéniere Chimiques, Valais, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland
  3. Department of Mathematics and Swansea Academy of Advanced Computing, Swansea University, Singleton Park, Swansea SA28PP, United Kingdom
  4. SV BMI UPHESS, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
  5. Institut des Sciences et Ingéniere Chimiques, Valais, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland, Department of Chemical and Biomolecular Engineering, University of California at Berkeley, Berkeley, California 94720, United States
Publication Date:
Grant/Contract Number:
SC0001015
Type:
Published Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Name: Journal of Chemical Theory and Computation Journal Volume: 14 Journal Issue: 8; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1462132

Lee, Yongjin, Barthel, Senja D., Dłotko, Paweł, Moosavi, Seyed Mohamad, Hess, Kathryn, and Smit, Berend. High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites. United States: N. p., Web. doi:10.1021/acs.jctc.8b00253.
Lee, Yongjin, Barthel, Senja D., Dłotko, Paweł, Moosavi, Seyed Mohamad, Hess, Kathryn, & Smit, Berend. High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites. United States. doi:10.1021/acs.jctc.8b00253.
Lee, Yongjin, Barthel, Senja D., Dłotko, Paweł, Moosavi, Seyed Mohamad, Hess, Kathryn, and Smit, Berend. 2018. "High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites". United States. doi:10.1021/acs.jctc.8b00253.
@article{osti_1462132,
title = {High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites},
author = {Lee, Yongjin and Barthel, Senja D. and Dłotko, Paweł and Moosavi, Seyed Mohamad and Hess, Kathryn and Smit, Berend},
abstractNote = {},
doi = {10.1021/acs.jctc.8b00253},
journal = {Journal of Chemical Theory and Computation},
number = 8,
volume = 14,
place = {United States},
year = {2018},
month = {6}
}