Projekte (gegliedert nach Institutionen)

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 und Kühne, Thomas D. (2026) The CP2K Program Package Made Simple. The Journal of Physical Chemistry B 130 (4), S. 1237-1310.

Pasquier, Rémi, Graml, Maximilian und Wilhelm, Jan (2025) Gaussian Basis Sets for All-Electron Excited-State Calculations of Large Molecules. Journal of Chemical Theory and Computation 22 (1), S. 540-557.

Marek, Štěpán und Wilhelm, Jan (2025) Linear and Nonlinear Optical Properties of Molecules from Real-Time Propagation Based on the Bethe–Salpeter Equation. Journal of Chemical Theory and Computation 21 (19), S. 9814-9822.

Graml, Maximilian , Zollner, Klaus , Hernangómez-Pérez, Daniel, Faria Junior, Paulo E. und Wilhelm, Jan (2024) Low-Scaling GW Algorithm Applied to Twisted Transition-Metal Dichalcogenide Heterobilayers. Journal of Chemical Theory and Computation 20 (5), S. 2202-2208.