Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field-Reference-Cited by-同舟云学术

Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field

Published:2019-02-27 Issue:4 Volume:15 Page:2127-2141
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mace Amber¹²^ORCID,Barthel Senja¹^ORCID,Smit Berend¹^ORCID

Affiliation:

1. Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais, Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland

2. Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden

Funder

Vetenskapsr?det

H2020 European Research Council

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01255

Reference72 articles.

1. Materials for next-generation molecularly selective synthetic membranes

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4. Computational Screening of Metal–Organic Frameworks for Membrane-Based CO2/N2/H2O Separations: Best Materials for Flue Gas Separation

5. High-throughput computational screening of metal-organic framework membranes for upgrading of natural gas

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