High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
- Authors:
-
[1]
; [2]
; [3]
; [2]
; [4]
; [5]
- 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
- Institut des Sciences et Ingéniere Chimiques, Valais, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland
- Department of Mathematics and Swansea Academy of Advanced Computing, Swansea University, Singleton Park, Swansea SA28PP, United Kingdom
- SV BMI UPHESS, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
- 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}
}