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 | 1890 - View on Scopus |
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