Cp2k: atomistic simulations of condensed matter systems

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Hutter, J, Iannuzzi, Marcella, Schiffmann, Florian ORCID: 0000-0002-1355-8084 and Vandevondele, J (2014) Cp2k: atomistic simulations of condensed matter systems. Wiley Interdisciplinary Reviews: Computational Molecular Science, 4 (1). 15 - 25. ISSN 1759-0884

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Item type Article
URI https://vuir.vu.edu.au/id/eprint/32770
DOI https://doi.org/10.1002/wcms.1159
Official URL http://onlinelibrary.wiley.com/doi/10.1002/wcms.11...
Subjects Historical > FOR Classification > 0204 Condensed Matter Physics
Historical > FOR Classification > 0306 Physical Chemistry (incl. Structural)
Current > Division/Research > Centre of Policy Studies (CoPS)
Keywords potential energy surfaces; electronic structure; functionality; molecular dynamics; algorithms; solar cells; water interfaces
Citations in Scopus 1856 - View on Scopus
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