CP2K Open Source Molecular Dynamics

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about [2019/03/05 14:47] – alazzaroabout [2020/11/16 15:36] (current) – [How to cite CP2K] vrybkin
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 CP2K provides state-of-the-art methods for efficient and accurate atomistic simulations. Some of the key parts of CP2K are [[Quickstep]], FIST, and QM/MM. For more information, see [[dev:codestructure|code structure]]. CP2K provides state-of-the-art methods for efficient and accurate atomistic simulations. Some of the key parts of CP2K are [[Quickstep]], FIST, and QM/MM. For more information, see [[dev:codestructure|code structure]].
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 + {{ youtube>btFxZKL3i3s?start=732 }}
  
 <note> <note>
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 The active development takes place under [[https://github.com/cp2k|GitHub]] ([[https://github.com/cp2k/cp2k/graphs/contributors|list of developers]]). CP2K is inviting the community to join the development; see [[dev:starting|starting development]] for details. The active development takes place under [[https://github.com/cp2k|GitHub]] ([[https://github.com/cp2k/cp2k/graphs/contributors|list of developers]]). CP2K is inviting the community to join the development; see [[dev:starting|starting development]] for details.
  
 +===== How to cite CP2K =====
 +
 +<note tip>
 +When performing simulations with CP2K, the developer team kindly asks you to acknowledge their work by citing the articles in the "REFERENCES" section in the output.
 +This section lists the scientific articles that describe the specific modules and methods used in the calculation.
 +</note>
 +
 +In cases where a detailed list of references is not appropriate, we recommend citing the latest relevant CP2K review. As of May 2020, this is [[doi>10.1063/5.0007045]].
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