{"publisher":"AIP Publishing","citation":{"mla":"Kühne, Thomas D., et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” <i>The Journal of Chemical Physics</i>, vol. 152, no. 19, AIP Publishing, 2020, p. 194103, doi:<a href=\"https://doi.org/10.1063/5.0007045\">10.1063/5.0007045</a>.","apa":"Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., … al.,  et. (2020). CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. <i>The Journal of Chemical Physics</i>, <i>152</i>(19), 194103. <a href=\"https://doi.org/10.1063/5.0007045\">https://doi.org/10.1063/5.0007045</a>","ieee":"T. D. Kühne <i>et al.</i>, “CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations,” <i>The Journal of Chemical Physics</i>, vol. 152, no. 19, p. 194103, 2020.","short":"T.D. Kühne, M. Iannuzzi, M. Del Ben, V.V. Rybkin, P. Seewald, F. Stein, T. Laino, R.Z. Khaliullin, O. Schütt, F. Schiffmann,  et al., The Journal of Chemical Physics 152 (2020) 194103.","bibtex":"@article{Kühne_Iannuzzi_Del Ben_Rybkin_Seewald_Stein_Laino_Khaliullin_Schütt_Schiffmann_et al._2020, title={CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations}, volume={152}, DOI={<a href=\"https://doi.org/10.1063/5.0007045\">10.1063/5.0007045</a>}, number={19}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kühne, Thomas D. and Iannuzzi, Marcella and Del Ben, Mauro and Rybkin, Vladimir V. and Seewald, Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin, Rustam Z. and Schütt, Ole and Schiffmann, Florian and et al.}, year={2020}, pages={194103} }","chicago":"Kühne, Thomas D., Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” <i>The Journal of Chemical Physics</i> 152, no. 19 (2020): 194103. <a href=\"https://doi.org/10.1063/5.0007045\">https://doi.org/10.1063/5.0007045</a>.","ama":"Kühne TD, Iannuzzi M, Del Ben M, et al. CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. <i>The Journal of Chemical Physics</i>. 2020;152(19):194103. doi:<a href=\"https://doi.org/10.1063/5.0007045\">10.1063/5.0007045</a>"},"user_id":"71692","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"304"}],"title":"CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations","language":[{"iso":"eng"}],"date_updated":"2022-01-06T06:53:10Z","doi":"10.1063/5.0007045","volume":152,"issue":"19","publication":"The Journal of Chemical Physics","date_created":"2020-07-14T09:41:47Z","type":"journal_article","page":"194103","publication_identifier":{"issn":["1089-7690"]},"intvolume":"       152","_id":"17386","year":"2020","author":[{"last_name":"Kühne","full_name":"Kühne, Thomas D.","first_name":"Thomas D."},{"last_name":"Iannuzzi","full_name":"Iannuzzi, Marcella","first_name":"Marcella"},{"full_name":"Del Ben, Mauro","last_name":"Del Ben","first_name":"Mauro"},{"full_name":"Rybkin, Vladimir V.","last_name":"Rybkin","first_name":"Vladimir V."},{"first_name":"Patrick","last_name":"Seewald","full_name":"Seewald, Patrick"},{"first_name":"Frederick","full_name":"Stein, Frederick","last_name":"Stein"},{"first_name":"Teodoro","full_name":"Laino, Teodoro","last_name":"Laino"},{"first_name":"Rustam Z.","full_name":"Khaliullin, Rustam Z.","last_name":"Khaliullin"},{"full_name":"Schütt, Ole","last_name":"Schütt","first_name":"Ole"},{"first_name":"Florian","full_name":"Schiffmann, Florian","last_name":"Schiffmann"},{"last_name":"al.","full_name":"al., et","first_name":"et"}],"status":"public"}