Felix Zeller

6PUBLICATIONS
24CO-AUTHORS
Computational chemistryChemical thermodynamics and energeticsEcohydrologyStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistry
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Publications (6)

|May 26, 2026
Enhancing Molecular High-Pressure Simulations by Implicit Solvation.

|Feb 19, 2026
How to evaluate aromaticity under pressure? Benzene as a benchmark system.

Jochen Eeckhoudt, Alexander Dellwisch, Annelene Plump

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

Philipp Pracht, Stefan Grimme, Christoph Bannwarth

|Feb 22, 2024
Calculating high-pressure vibrational frequencies analytically with the extended hydrostatic compression force field approach.

Rahel Weiß, Felix Zeller, Tim Neudecker

|Nov 15, 2022
An efficient implementation of the GOSTSHYP pressure model by applying shell-bounding Gaussian 1-electron-3-center integral screening.

Felix Zeller, Eric Berquist, Evgeny Epifanovsky

|Aug 10, 2022
Can a Finite Chain of Hydrogen Cyanide Molecules Model a Crystal?

Chieh-Min Hsieh, Björn Grabbet, Felix Zeller

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Frequent Collaborators

6 joint publications

Tim Neudecker

1 joint publications

Chieh-Min Hsieh

1 joint publications

Björn Grabbet

1 joint publications

Sanna Benter