Karl N Kirschner

8PUBLICATIONS
15CO-AUTHORS
Field theory and string theoryComputational chemistryMetal organic frameworksFormal methods for softwareIntegrable systems (classical and quantum)
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Publications (8)

|Aug 31, 2026
Extending the Python RESP Framework for Extra Point Charge Fitting.

|Sep 05, 2025
Speed up Multi-Scale Force-Field Parameter Optimization by Substituting Molecular Dynamics Calculations with a Machine Learning Surrogate Model.

Robin Strickstrock, Alexander Hagg, Dirk Reith

|Aug 23, 2025
Gas-Phase Benzene-Methanol Dimer Configurations: Geometries, Relative Stabilities, and Interaction Energies.

Karl N Kirschner

|Jul 19, 2023
Open-Source Machine Learning in Computational Chemistry.

Alexander Hagg, Karl N Kirschner

|Mar 21, 2023
Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization.

Max Müller, Alexander Hagg, Robin Strickstrock

|Jul 22, 2022
Mebendazole's Conformational Space and Its Predicted Binding to Human Heat-Shock Protein 90.

Walter Fiedler, Fabian Freisleben, Jasmin Wellbrock

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Frequent Collaborators

3 joint publications

Alexander Hagg

3 joint publications

Dirk Reith

2 joint publications

Robin Strickstrock

1 joint publications

Shaneice R Mitchell