{"status":"public","_id":"65629","publisher":"American Chemical Society (ACS)","page":"1237-1310","volume":130,"user_id":"75963","citation":{"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>.","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.","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>.","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>."},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"publication_identifier":{"issn":["1520-6106","1520-5207"]},"author":[{"first_name":"Marcella","last_name":"Iannuzzi","full_name":"Iannuzzi, Marcella"},{"last_name":"Wilhelm","first_name":"Jan","full_name":"Wilhelm, Jan"},{"full_name":"Stein, Frederick","first_name":"Frederick","last_name":"Stein"},{"full_name":"Bussy, Augustin","first_name":"Augustin","last_name":"Bussy"},{"first_name":"Hossam","last_name":"Elgabarty","full_name":"Elgabarty, Hossam"},{"last_name":"Golze","first_name":"Dorothea","full_name":"Golze, Dorothea"},{"first_name":"Anna-Sophia","last_name":"Hehn","full_name":"Hehn, Anna-Sophia"},{"first_name":"Maximilian","last_name":"Graml","full_name":"Graml, Maximilian"},{"last_name":"Marek","first_name":"Stepan","full_name":"Marek, Stepan"},{"full_name":"Gökmen, Beliz Sertcan","first_name":"Beliz Sertcan","last_name":"Gökmen"},{"first_name":"Christoph","last_name":"Schran","full_name":"Schran, Christoph"},{"full_name":"Forbert, Harald","last_name":"Forbert","first_name":"Harald"},{"last_name":"Khaliullin","first_name":"Rustam Z.","full_name":"Khaliullin, Rustam Z."},{"full_name":"Kozhevnikov, Anton","first_name":"Anton","last_name":"Kozhevnikov"},{"full_name":"Taillefumier, Mathieu","last_name":"Taillefumier","first_name":"Mathieu"},{"full_name":"Meli, Rocco","last_name":"Meli","first_name":"Rocco"},{"full_name":"Rybkin, Vladimir V.","last_name":"Rybkin","first_name":"Vladimir V."},{"id":"100167","full_name":"Brehm, Martin","last_name":"Brehm","first_name":"Martin"},{"id":"75963","full_name":"Schade, Robert","last_name":"Schade","first_name":"Robert","orcid":"0000-0002-6268-5397"},{"last_name":"Schütt","first_name":"Ole","full_name":"Schütt, Ole"},{"full_name":"Pototschnig, Johann V.","first_name":"Johann V.","last_name":"Pototschnig"},{"full_name":"Mirhosseini, Hossein","first_name":"Hossein","last_name":"Mirhosseini"},{"full_name":"Knüpfer, Andreas","last_name":"Knüpfer","first_name":"Andreas"},{"first_name":"Dominik","last_name":"Marx","full_name":"Marx, Dominik"},{"full_name":"Krack, Matthias","last_name":"Krack","first_name":"Matthias"},{"last_name":"Hutter","first_name":"Jürg","full_name":"Hutter, Jürg"},{"full_name":"Kühne, Thomas D.","first_name":"Thomas D.","last_name":"Kühne"}],"year":"2026","title":"The CP2K Program Package Made Simple","intvolume":"       130","date_updated":"2026-05-16T14:04:23Z","publication_status":"published","language":[{"iso":"eng"}],"doi":"10.1021/acs.jpcb.5c05851","publication":"The Journal of Physical Chemistry B","issue":"4","date_created":"2026-05-16T14:03:25Z","department":[{"_id":"27"}],"type":"journal_article"}