Screening Materials Relevant for Energy Technologies.
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.
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.
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