Wanja Timm Schulze

3PUBLICATIONS
95CO-AUTHORS
Formal methods for softwareStatistical mechanics in chemistryChemical thermodynamics and energetics
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Publications (3)

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|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|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

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Frequent Collaborators

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Kai Trepte

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Sebastian Schwalbe

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Susi Lehtola

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Stefanie Gräfe

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Matthew R Hermes

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Xiaojie Wu

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Huanchen Zhai

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Xing Zhang

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Abdelrahman M Ahmed

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Samragni Banerjee

Frequent Collaborators

2 joint publications

Kai Trepte

2 joint publications

Sebastian Schwalbe

2 joint publications

Susi Lehtola

1 joint publications

Stefanie Gräfe

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