In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications

Author:

Mercado Rocío1ORCID,Fu Rueih-Sheng2,Yakutovich Aliaksandr V.34ORCID,Talirz Leopold34ORCID,Haranczyk Maciej56ORCID,Smit Berend235ORCID

Affiliation:

1. Department of Chemistry, University of California, Berkeley, Berkeley, California 94720, United States

2. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States

3. Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingenierie Chimiques, Valais, École Polytechnique Fedérale de Lausanne (EPFL), de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion, Switzerland

4. Theory and Simulation of Materials, Faculté des Sciences et Techniques de l’Ingénieur, École Polytechnique Fedérale, Station 9, CH-1015 Lausanne, Switzerland

5. Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

6. IMDEA Materials Institute, C/Eric Kandel 2, 28906 Getafe, Madrid, Spain

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

National Center of Competence in Research Materials??? Revolution: Computational Design and Discovery of Novel Materials

U.S. Department of Energy

Ministerio de Econom?a y Competitividad

National Science Foundation

European Commission

Swiss National Supercomputing Center (CSCS)

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,General Chemical Engineering,General Chemistry

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