The CP2K Program Package Made Simple
Fuente:
arXiv
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| Main Authors: | Iannuzzi, Marcella, Wilhelm, Jan, Stein, Frederick, Bussy, Augustin, Elgabarty, Hossam, Golze, Dorothea, Hehn, Anna, Graml, Maximilian, Marek, Stepan, Gökmen, Beliz Sertcan, Schran, Christoph, Forbert, Harald, Khaliullin, Rustam Z., Kozhevnikov, Anton, Taillefumier, Mathieu, Meli, Rocco, Rybkin, Vladimir, Brehm, Martin, Schade, Robert, Schütt, Ole, Pototschnig, Johann V., Mirhosseini, Hossein, Knüpfer, Andreas, Marx, Dominik, Krack, Matthias, Hutter, Jürg, Kühne, Thomas D. |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | |
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