Christian Hölzer

5PUBLICATIONS
12CO-AUTHORS
Computational chemistryEvolutionary computationChemical and thermal processes in energy and combustionComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (5)

|Aug 07, 2025
ConfRank+: Extending Conformer Ranking to Charged Molecules.

Rick Oerder, Christian Hölzer, Jan Hamaekers

|Nov 20, 2024
ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training.

Christian Hölzer, Rick Oerder, Stefan Grimme

|Aug 09, 2024
dxtb-An efficient and fully differentiable framework for extended tight-binding.

Marvin Friede, Christian Hölzer, Sebastian Ehlert

|Jan 18, 2024
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set.

Christian Hölzer, Igor Gordiy, Stefan Grimme

|Jan 21, 2023
TBMaLT, a flexible toolkit for combining tight-binding and machine learning.

A McSloy, G Fan, W Sun

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Frequent Collaborators

4 joint publications

Stefan Grimme

2 joint publications

Marvin Friede

2 joint publications

Sebastian Ehlert

2 joint publications

Jan Hamaekers