Johannes Gorges

5PUBLICATIONS
15CO-AUTHORS
Computational chemistryCondensed matter modelling and density functional theoryTheory and design of materials
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Publications (5)

|Sep 04, 2025
Evaluation of the QCxMS2 Method for the Calculation of Collision-Induced Dissociation Spectra via Automated Reaction Network Exploration.

Johannes Gorges, Marianne Engeser, Stefan Grimme

|Mar 07, 2025
QCxMS2 - a program for the calculation of electron ionization mass spectra via automated reaction network discovery.

Johannes Gorges, Stefan Grimme

|Mar 21, 2024
CREST-A program for the exploration of low-energy molecular chemical space.

Philipp Pracht, Stefan Grimme, Christoph Bannwarth

|Nov 24, 2022
Reliable prediction of association (free) energies of supramolecular complexes with heavy main group elements - the HS13L benchmark set.

Johannes Gorges, Stefan Grimme, Andreas Hansen

|May 11, 2022
Towards understanding solvation effects on the conformational entropy of non-rigid molecules.

Johannes Gorges, Stefan Grimme, Andreas Hansen

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