16 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Center for Advanced Systems UnderstandingDE3 papers
- Friedrich Schiller University JenaDE3 papers
- Helmholtz-Zentrum Dresden-RossendorfDE3 papers
- TU Bergakademie FreibergDE2 papers
- Molecular Sciences Software InstituteUS1 paper
- Oklahoma State UniversityUS1 paper
- Taiwan Semiconductor Manufacturing Company (Taiwan)TW1 paper
- University of CalabriaIT1 paper
- University of HelsinkiFI1 paper
- University of PisaIT1 paper
Showing 2024Show all
2 papers · 1 filter
physics.comp-ph2024
eminus -- Pythonic electronic structure theory
Wanja Timm Schulze, Sebastian Schwalbe, Kai Trepte +1
In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing…
physics.chem-ph2024★ 4 cited
Ensemble Generalization of the Perdew-Zunger Self-Interaction Correction: a Way Out of Multiple Minima and Symmetry Breaking
Sebastian Schwalbe, Wanja Timm Schulze, Kai Trepte +1
The Perdew-Zunger (PZ) self-interaction correction (SIC) is an established tool to correct unphysical behavior in density functional approximations. Yet, PZ-SIC is well-known to so…