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Name: CP2K
Homepage: http://www.cp2k.org
Other-References: http://manual.cp2k.org/trunk/references.html
Repository-Browse: http://sourceforge.net/p/cp2k/code/HEAD/tree/
Reference:
- Title: "CP2K version 2.6.1, the CP2K developers group: http://www.cp2k.org"
Year: 2015
URL: http://www.cp2k.org
- Author: Jürg Hutter and Marcella Iannuzzi and Florian Schiffmann and Joost VandeVondele
Title: "CP2K: atomistic simulations of condensed matter systems"
Journal: Comp. Mol. Sci.
Year: 2013
Volume: 4
Number: 1
Pages: 15-25
DOI: 10.1002/wcms.1159
URL: http://onlinelibrary.wiley.com/doi/10.1002/wcms.1159/
eprint: http://onlinelibrary.wiley.com/doi/10.1002/wcms.1159/pdf
- Author: J. VandeVondele and M. Krack and F. Mohamed and M. Parrinello and T. Chassaing and J. Hutter
Title: "QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach"
Journal: Comp. Phys. Comm.
Year: 2005
Volume: 167
Number: 2
Pages: 103-128
DOI: 10.1016/j.cpc.2004.12.014
URL: http://www.sciencedirect.com/science/article/pii/S0010465505000615
- Author: Thomas D Kuhne and Matthias Krack and Fawzi R Mohamed and Michele Parrinello
Title: "Efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics"
Journal: Phys. Rev. Lett.
Year: 2007
Volume: 98
Number: 6
Pages: 066401
DOI: 10.1103/PhysRevLett.98.066401
PMID: 17358962
URL: http://prl.aps.org/abstract/PRL/v98/i6/e066401
eprint: http://prl.aps.org/pdf/PRL/v98/i6/e066401
- Author: Gerald Lippert and Jurg Hutter and Michele Parrinello
Title: "A hybrid Gaussian and plane wave density functional scheme"
Journal: Mol. Phys.
Year: 1997
Volume: 92
Number: 3
Pages: 447-487
DOI: 10.1080/002689797170220
URL: http://www.tandfonline.com/doi/abs/10.1080/002689797170220
eprint: http://www.tandfonline.com/doi/pdf/10.1080/002689797170220
- Author: Gerald Lippert and Jurg Hutter and Michele Parrinello
Title: "The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations"
Journal: Theo. Chem. Acc.
Year: 1999
Volume: 103
Number: 2
Pages: 124-140
DOI: 10.1007/s002140050523
URL: http://www.springerlink.com/content/7f52yxb1qy4nqawb/
eprint: http://www.springerlink.com/content/7f52yxb1qy4nqawb/fulltext.pdf
- Author: Manuel Guidon and Florian Schiffmann and Jürg Hutter and Joost VandeVondele
Title: "Ab initio molecular dynamics using hybrid density functionals"
Journal: J. Chem. Phys.
Year: 2008
Volume: 128
Number: 21
Pages: 214104
DOI: 10.1063/1.2931945
URL: http://jcp.aip.org/resource/1/jcpsa6/v128/i21/p214104_s1
- Author: Matthias Krack and Michele Parrinello
Title: "All-electron ab-initio molecular dynamics"
Journal: Phys. Chem. Chem. Phys.
Year: 2000
Volume: 2
Number: 10
Pages: 2105-2112
DOI: 10.1039/b001167n
URL: http://pubs.rsc.org/en/Content/ArticleLanding/2000/CP/b001167n
eprint: http://pubs.rsc.org/en/content/articlepdf/2000/cp/b001167n
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