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Replication Data for: A symmetry-preserving and transferable representation for learning the Kohn-Sham density matrix

, , , , , und . Dataset, (2025)Related to: Liwei Zhang, Patrizia Mazzeo, Michele Nottoli, Edoardo Cignoni, Lorenzo Cupellini, Benjamin Stamm (2025). A symmetry-preserving and transferable representation for learning the Kohn-Sham density matrix. arXiv: 2503.08400.
DOI: 10.18419/darus-4902

Zusammenfassung

This archive for reproducibility contains the datasets used to train the models, a small script to read the datasets, and the finest model. More information can be found in the README.md.

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