The CP2K Program Package Made Simple

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.

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Journal Article | Published | English
Author
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
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Publishing Year
Journal Title
The Journal of Physical Chemistry B
Volume
130
Issue
4
Page
1237-1310
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Iannuzzi M, Wilhelm J, Stein F, et al. The CP2K Program Package Made Simple. The Journal of Physical Chemistry B. 2026;130(4):1237-1310. doi:10.1021/acs.jpcb.5c05851
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. The Journal of Physical Chemistry B, 130(4), 1237–1310. https://doi.org/10.1021/acs.jpcb.5c05851
@article{Iannuzzi_Wilhelm_Stein_Bussy_Elgabarty_Golze_Hehn_Graml_Marek_Gökmen_et al._2026, title={The CP2K Program Package Made Simple}, volume={130}, DOI={10.1021/acs.jpcb.5c05851}, 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} }
Iannuzzi, Marcella, Jan Wilhelm, Frederick Stein, Augustin Bussy, Hossam Elgabarty, Dorothea Golze, Anna-Sophia Hehn, et al. “The CP2K Program Package Made Simple.” The Journal of Physical Chemistry B 130, no. 4 (2026): 1237–1310. https://doi.org/10.1021/acs.jpcb.5c05851.
M. Iannuzzi et al., “The CP2K Program Package Made Simple,” The Journal of Physical Chemistry B, vol. 130, no. 4, pp. 1237–1310, 2026, doi: 10.1021/acs.jpcb.5c05851.
Iannuzzi, Marcella, et al. “The CP2K Program Package Made Simple.” The Journal of Physical Chemistry B, vol. 130, no. 4, American Chemical Society (ACS), 2026, pp. 1237–310, doi:10.1021/acs.jpcb.5c05851.

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