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Sebastian Schwalbe

10PUBLICATIONS

16CO-AUTHORS

Thermodynamics and statistical physicsTheoretical quantum chemistryStatistical mechanics in chemistryRadiation and matterChemical thermodynamics and energetics

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Publications (10)

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|Oct 15, 2025

Reweighting estimator for ab initio path integral Monte Carlo simulations of fictitious identical particles.

Tobias Dornheim, Pontus Svensson, Paul Hamann

|Jul 24, 2025

Fermionic Free Energies from Ab Initio Path Integral Monte Carlo Simulations of Fictitious Identical Particles.

Tobias Dornheim, Zhandos Moldabekov, Sebastian Schwalbe

|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 26, 2024

Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties.

Tobias Dornheim, Sebastian Schwalbe, Maximilian P Böhme

|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

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Frequent Collaborators

7 joint publications

Kai Trepte

3 joint publications

Torsten Hahn

3 joint publications

Panagiotis Tolias

3 joint publications

Tobias Dornheim

3 joint publications

Zhandos Moldabekov

2 joint publications

Juan E Peralta

2 joint publications

Koblar A Jackson

2 joint publications

Jens Kortus

2 joint publications

Susi Lehtola

2 joint publications

Wanja Timm Schulze

Frequent Collaborators

7 joint publications

Kai Trepte

3 joint publications

Torsten Hahn

3 joint publications

Panagiotis Tolias

3 joint publications

Tobias Dornheim

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