[{"doi":"10.1021/acs.jpcb.5c05851","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2026-05-16T14:04:23Z","intvolume":"       130","title":"The CP2K Program Package Made Simple","year":"2026","author":[{"full_name":"Iannuzzi, Marcella","first_name":"Marcella","last_name":"Iannuzzi"},{"first_name":"Jan","last_name":"Wilhelm","full_name":"Wilhelm, Jan"},{"last_name":"Stein","first_name":"Frederick","full_name":"Stein, Frederick"},{"last_name":"Bussy","first_name":"Augustin","full_name":"Bussy, Augustin"},{"full_name":"Elgabarty, Hossam","last_name":"Elgabarty","first_name":"Hossam"},{"full_name":"Golze, Dorothea","last_name":"Golze","first_name":"Dorothea"},{"last_name":"Hehn","first_name":"Anna-Sophia","full_name":"Hehn, Anna-Sophia"},{"first_name":"Maximilian","last_name":"Graml","full_name":"Graml, Maximilian"},{"full_name":"Marek, Stepan","last_name":"Marek","first_name":"Stepan"},{"first_name":"Beliz Sertcan","last_name":"Gökmen","full_name":"Gökmen, Beliz Sertcan"},{"first_name":"Christoph","last_name":"Schran","full_name":"Schran, Christoph"},{"last_name":"Forbert","first_name":"Harald","full_name":"Forbert, Harald"},{"last_name":"Khaliullin","first_name":"Rustam Z.","full_name":"Khaliullin, Rustam Z."},{"full_name":"Kozhevnikov, Anton","last_name":"Kozhevnikov","first_name":"Anton"},{"full_name":"Taillefumier, Mathieu","first_name":"Mathieu","last_name":"Taillefumier"},{"last_name":"Meli","first_name":"Rocco","full_name":"Meli, Rocco"},{"full_name":"Rybkin, Vladimir V.","first_name":"Vladimir V.","last_name":"Rybkin"},{"first_name":"Martin","last_name":"Brehm","full_name":"Brehm, Martin","id":"100167"},{"full_name":"Schade, Robert","first_name":"Robert","last_name":"Schade","orcid":"0000-0002-6268-5397","id":"75963"},{"first_name":"Ole","last_name":"Schütt","full_name":"Schütt, Ole"},{"first_name":"Johann V.","last_name":"Pototschnig","full_name":"Pototschnig, Johann V."},{"full_name":"Mirhosseini, Hossein","last_name":"Mirhosseini","first_name":"Hossein"},{"last_name":"Knüpfer","first_name":"Andreas","full_name":"Knüpfer, Andreas"},{"full_name":"Marx, Dominik","last_name":"Marx","first_name":"Dominik"},{"full_name":"Krack, Matthias","first_name":"Matthias","last_name":"Krack"},{"first_name":"Jürg","last_name":"Hutter","full_name":"Hutter, Jürg"},{"last_name":"Kühne","first_name":"Thomas D.","full_name":"Kühne, Thomas D."}],"publication_identifier":{"issn":["1520-6106","1520-5207"]},"type":"journal_article","department":[{"_id":"27"}],"date_created":"2026-05-16T14:03:25Z","issue":"4","publication":"The Journal of Physical Chemistry B","user_id":"75963","volume":130,"page":"1237-1310","_id":"65629","publisher":"American Chemical Society (ACS)","status":"public","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"ama":"Iannuzzi M, Wilhelm J, Stein F, et al. The CP2K Program Package Made Simple. <i>The Journal of Physical Chemistry B</i>. 2026;130(4):1237-1310. doi:<a href=\"https://doi.org/10.1021/acs.jpcb.5c05851\">10.1021/acs.jpcb.5c05851</a>","bibtex":"@article{Iannuzzi_Wilhelm_Stein_Bussy_Elgabarty_Golze_Hehn_Graml_Marek_Gökmen_et al._2026, title={The CP2K Program Package Made Simple}, volume={130}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcb.5c05851\">10.1021/acs.jpcb.5c05851</a>}, number={4}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Iannuzzi, Marcella and Wilhelm, Jan and Stein, Frederick and Bussy, Augustin and Elgabarty, Hossam and Golze, Dorothea and Hehn, Anna-Sophia and Graml, Maximilian and Marek, Stepan and Gökmen, Beliz Sertcan and et al.}, year={2026}, pages={1237–1310} }","mla":"Iannuzzi, Marcella, et al. “The CP2K Program Package Made Simple.” <i>The Journal of Physical Chemistry B</i>, vol. 130, no. 4, American Chemical Society (ACS), 2026, pp. 1237–310, doi:<a href=\"https://doi.org/10.1021/acs.jpcb.5c05851\">10.1021/acs.jpcb.5c05851</a>.","short":"M. Iannuzzi, J. Wilhelm, F. Stein, A. Bussy, H. Elgabarty, D. Golze, A.-S. Hehn, M. Graml, S. Marek, B.S. Gökmen, C. Schran, H. Forbert, R.Z. Khaliullin, A. Kozhevnikov, M. Taillefumier, R. Meli, V.V. Rybkin, M. Brehm, R. Schade, O. Schütt, J.V. Pototschnig, H. Mirhosseini, A. Knüpfer, D. Marx, M. Krack, J. Hutter, T.D. Kühne, The Journal of Physical Chemistry B 130 (2026) 1237–1310.","chicago":"Iannuzzi, Marcella, Jan Wilhelm, Frederick Stein, Augustin Bussy, Hossam Elgabarty, Dorothea Golze, Anna-Sophia Hehn, et al. “The CP2K Program Package Made Simple.” <i>The Journal of Physical Chemistry B</i> 130, no. 4 (2026): 1237–1310. <a href=\"https://doi.org/10.1021/acs.jpcb.5c05851\">https://doi.org/10.1021/acs.jpcb.5c05851</a>.","apa":"Iannuzzi, M., Wilhelm, J., Stein, F., Bussy, A., Elgabarty, H., Golze, D., Hehn, A.-S., Graml, M., Marek, S., Gökmen, B. S., Schran, C., Forbert, H., Khaliullin, R. Z., Kozhevnikov, A., Taillefumier, M., Meli, R., Rybkin, V. V., Brehm, M., Schade, R., … Kühne, T. D. (2026). The CP2K Program Package Made Simple. <i>The Journal of Physical Chemistry B</i>, <i>130</i>(4), 1237–1310. <a href=\"https://doi.org/10.1021/acs.jpcb.5c05851\">https://doi.org/10.1021/acs.jpcb.5c05851</a>","ieee":"M. Iannuzzi <i>et al.</i>, “The CP2K Program Package Made Simple,” <i>The Journal of Physical Chemistry B</i>, vol. 130, no. 4, pp. 1237–1310, 2026, doi: <a href=\"https://doi.org/10.1021/acs.jpcb.5c05851\">10.1021/acs.jpcb.5c05851</a>."}}]