The CP2K Program Package Made Simple Iannuzzi, Marcella Wilhelm, Jan Stein, Frederick Bussy, Augustin Elgabarty, Hossam Golze, Dorothea Hehn, Anna-Sophia Graml, Maximilian Marek, Stepan Gökmen, Beliz Sertcan Schran, Christoph Forbert, Harald Khaliullin, Rustam Z. Kozhevnikov, Anton Taillefumier, Mathieu Meli, Rocco Rybkin, Vladimir V. Brehm, Martin Schade, Robert Schütt, Ole Pototschnig, Johann V. Mirhosseini, Hossein Knüpfer, Andreas Marx, Dominik Krack, Matthias Hutter, Jürg Kühne, Thomas D. American Chemical Society (ACS) 2026 info:eu-repo/semantics/article doc-type:article text http://purl.org/coar/resource_type/c_6501 https://ris.uni-paderborn.de/record/65629 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> eng info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcb.5c05851 info:eu-repo/semantics/altIdentifier/issn/1520-6106 info:eu-repo/semantics/altIdentifier/issn/1520-5207 info:eu-repo/semantics/closedAccess