Kai Trepte
11PUBLICATIONS
12CO-AUTHORS
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Publications (11)
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|Aug 14, 2024
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
|Apr 24, 2023
Bond formation insights into the Diels-Alder reaction: A bond perception and self-interaction perspective.Wanja Timm Schulze, Sebastian Schwalbe, Kai Trepte
|Nov 08, 2022
How good are recent density functionals for ground and excited states of one-electron systems?Sebastian Schwalbe, Kai Trepte, Susi Lehtola
|Apr 27, 2022
Data-driven and constrained optimization of semi-local exchange and nonlocal correlation functionals for materials and surface chemistry.Kai Trepte, Johannes Voss
|Aug 18, 2021
MCML: Combining physical constraints with experimental data for a multi-purpose meta-generalized gradient approximation.Kristopher Brown, Yasheng Maimaiti, Kai Trepte
|Jan 28, 2021
porE: A code for deterministic and systematic analyses of porosities.Kai Trepte, Sebastian Schwalbe
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Frequent Collaborators
7 joint publications
Sebastian Schwalbe
4 joint publications
Koblar A Jackson
3 joint publications
Torsten Hahn
3 joint publications
Juan E Peralta
2 joint publications
J Karl Johnson
2 joint publications
Jens Kortus
2 joint publications
Johannes Voss
2 joint publications
Susi Lehtola
2 joint publications
Wanja Timm Schulze
1 joint publications
Kamal Sharkas
