Screening Materials Relevant for Energy Technologies

Authors

  • Berend Smit Laboratory of molecular simulation, Institut des Sciences et Ingénierie Chimiques (ISIC), Valais, Switzerland; Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, CH-1950 Sion, Switzerland; Department of Chemical and Biomolecular Engineering, University of California, Berkeley 101B Gilman Hall #1462, Berkeley CA 94720-1462, USA. berend.smit@epfl.ch

DOI:

https://doi.org/10.2533/chimia.2015.248

Keywords:

Carbon capture, Materials genome, Methane storage, Metal–organic frameworks (mof), Nanoporous materials

Abstract

In this short review, some recent advances are discussed in the development of computational techniques to perform large-scale screening of materials for energy-related applications. We focus on carbon capture and methane storage in different classes of nanoporous materials. We show how these screening studies can identify whether economic targets for particular processes can be reached.
CHIMIA Vol. 69 No. 5 (2015): Sion, a New Center for Chemistry and Chemical Engineering in Valais

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Published

2015-05-27

Issue

Vol. 69 No. 5 (2015): Sion, a New Center for Chemistry and Chemical Engineering in Valais

Section

Scientific Articles

License

Copyright (c) 2015 Swiss Chemical Society

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.

How to Cite

[1]
Chimia 2015, 69, 248, DOI: 10.2533/chimia.2015.248.