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How to cite CP2K
chemistry
CP2K is a freely available (GPL) quantum chemistry and solid state physics program package, written in Fortran 2008, to perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.
More informations about CP2K can be found at this link.
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@article{Khne2020,
doi = {10.1063/5.0007045},
url = {https://doi.org/10.1063/5.0007045},
year = {2020},
month = may,
publisher = {{AIP} Publishing},
volume = {152},
number = {19},
pages = {194103},
author = {Thomas D. K\"{u}hne and Marcella Iannuzzi and Mauro Del Ben and Vladimir V. Rybkin and Patrick Seewald and Frederick Stein and Teodoro Laino and Rustam Z. Khaliullin and Ole Sch\"{u}tt and Florian Schiffmann and Dorothea Golze and Jan Wilhelm and Sergey Chulkov and Mohammad Hossein Bani-Hashemian and Val{\'{e}}ry Weber and Urban Bor{\v{s}}tnik and Mathieu Taillefumier and Alice Shoshana Jakobovits and Alfio Lazzaro and Hans Pabst and Tiziano M\"{u}ller and Robert Schade and Manuel Guidon and Samuel Andermatt and Nico Holmberg and Gregory K. Schenter and Anna Hehn and Augustin Bussy and Fabian Belleflamme and Gloria Tabacchi and Andreas Gl\"{o}{\ss} and Michael Lass and Iain Bethune and Christopher J. Mundy and Christian Plessl and Matt Watkins and Joost VandeVondele and Matthias Krack and J\"{u}rg Hutter},
title = {{CP}2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations},
journal = {The Journal of Chemical Physics}
}
doi = {10.1063/5.0007045},
url = {https://doi.org/10.1063/5.0007045},
year = {2020},
month = may,
publisher = {{AIP} Publishing},
volume = {152},
number = {19},
pages = {194103},
author = {Thomas D. K\"{u}hne and Marcella Iannuzzi and Mauro Del Ben and Vladimir V. Rybkin and Patrick Seewald and Frederick Stein and Teodoro Laino and Rustam Z. Khaliullin and Ole Sch\"{u}tt and Florian Schiffmann and Dorothea Golze and Jan Wilhelm and Sergey Chulkov and Mohammad Hossein Bani-Hashemian and Val{\'{e}}ry Weber and Urban Bor{\v{s}}tnik and Mathieu Taillefumier and Alice Shoshana Jakobovits and Alfio Lazzaro and Hans Pabst and Tiziano M\"{u}ller and Robert Schade and Manuel Guidon and Samuel Andermatt and Nico Holmberg and Gregory K. Schenter and Anna Hehn and Augustin Bussy and Fabian Belleflamme and Gloria Tabacchi and Andreas Gl\"{o}{\ss} and Michael Lass and Iain Bethune and Christopher J. Mundy and Christian Plessl and Matt Watkins and Joost VandeVondele and Matthias Krack and J\"{u}rg Hutter},
title = {{CP}2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations},
journal = {The Journal of Chemical Physics}
}
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