Thomas Weymuth

12PUBLICATIONS
40CO-AUTHORS
Theoretical quantum chemistryFoundations of quantum mechanicsEvolutionary computationComputational chemistryModelling and simulation
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Publications (12)

|Apr 19, 2026
How to Use Quantum Computers for Biomolecular Free Energies.

|Aug 05, 2025
Machine Learning-Enhanced Calculation of Quantum-Classical Binding Free Energies.

Moritz Bensberg, Marco Eckhoff, F Emil Thomasen

|Jul 29, 2025
Hierarchical Quantum Embedding by Machine Learning for Large Molecular Assemblies.

Moritz Bensberg, Marco Eckhoff, Raphael T Husistein

|Oct 03, 2024
Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks.

Charlotte H Müller, Miguel Steiner, Jan P Unsleber

|Jun 10, 2024
SCINE-Software for chemical interaction networks.

Thomas Weymuth, Jan P Unsleber, Paul L Türtscher

|Jun 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning.

Alessandra Toniato, Jan P Unsleber, Alain C Vaucher

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Frequent Collaborators

11 joint publications

Markus Reiher

5 joint publications

Jan P Unsleber

4 joint publications

Marco Eckhoff

3 joint publications

Kresten Lindorff-Larsen