CP2K: An Electronic Structure and Molecular Dynamics Software Package - Dynamics, Transport, and Spectroscopic Response

Published in arXiv, 2026

Recommended citation: Wilhelm, J., Hehn, A., Elgabarty, H., Sertcan Gökmen, B., Graml, M., Marek, S., Tyagi, R., Stein, F., Potoschnig, J. V., Bussy, A., Ahart, C. S. et al. CP2K: An Electronic Structure and Molecular Dynamics Software Package - Dynamics, Transport, and Spectroscopic Response. arXiv:2607.22916, 2026.