Sebastian Schwalbe

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 4

Top Topics

Fourier Descriptors

Human Interaction

Top Venues

J. Comput. Chem.

Publications

Kai Trepte, Sebastian Schwalbe
porE: A code for deterministic and systematic analyses of porosities. J. Comput. Chem. 42 (9) (2021)
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
Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction. J. Comput. Chem. 40 (6) (2019)
Sebastian Schwalbe, Kai Trepte, Lenz Fiedler, Alex I. Johnson, Jakob Kraus, Torsten Hahn, Juan E. Peralta, Koblar A. Jackson, Jens Kortus
Interpretation and Automatic Generation of Fermi-Orbital Descriptors. J. Comput. Chem. 40 (32) (2019)
Sebastian Schwalbe, Torsten Hahn, Simon Liebing, Kai Trepte, Jens Kortus
Fermi-Löwdin orbital self-interaction corrected density functional theory: Ionization potentials and enthalpies of formation. J. Comput. Chem. 39 (29) (2018)