Fermi-Löwdin orbital self-interaction corrected density functional theory: Ionization potentials and enthalpies of formation. - Sebastian Schwalbe; Torsten Hahn; Simon Liebing; Kai Trepte; Jens Kortus (J. Comput. Chem., 2018)

Interpretation and Automatic Generation of Fermi-Orbital Descriptors. - Sebastian Schwalbe; Kai Trepte; Lenz Fiedler; Alex I. Johnson; Jakob Kraus; Torsten Hahn; Juan E. Peralta; Koblar A. Jackson; Jens Kortus (J. Comput. Chem., 2019)

Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction. - Kai Trepte; Sebastian Schwalbe; Torsten Hahn; Jens Kortus; Der-You Kao; Yoh Yamamoto; Tunna Baruah; Rajendra R. Zope; Kushantha P. K. Withanage; Juan E. Peralta; Koblar A. Jackson (J. Comput. Chem., 2019)

porE: A code for deterministic and systematic analyses of porosities. - Kai Trepte; Sebastian Schwalbe (J. Comput. Chem., 2021)

eminus - Pythonic electronic structure theory. - Wanja Timm Schulze; Sebastian Schwalbe; Kai Trepte; Stefanie Gräfe (SoftwareX, 2025)