Johann V Pototschnig

6PUBLICATIONS
24CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterComputational chemistryRadiation and matterTheoretical quantum chemistryProcedural content generation
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Publications (6)

|Oct 23, 2026
Periodic GFN2-xTB in CP2K: Multipolar Ewald Electrostatics, k-Point Sampling, and Transferability Benchmarks for Solids.

|Jan 15, 2026
The CP2K Program Package Made Simple.

Marcella Iannuzzi, Jan Wilhelm, Frederick Stein

|Mar 08, 2022
Vibronic Coupling in Spherically Encapsulated, Diatomic Molecules: Prediction of a Renner-Teller-like Effect for Endofullerenes.

Andreas W Hauser, Johann V Pototschnig

|Oct 01, 2021
Electronic spectra of ytterbium fluoride from relativistic electronic structure calculations.

Johann V Pototschnig, Kenneth G Dyall, Lucas Visscher

|Aug 09, 2021
Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures.

Johann V Pototschnig, Anastasios Papadopoulos, Dmitry I Lyakh

|Apr 12, 2019
Conservation of Hot Thermal Spin-Orbit Population of 2P Atoms in a Cold Quantum Fluid Environment.

Bernhard Thaler, Ralf Meyer, Pascal Heim

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Frequent Collaborators

2 joint publications

Thomas D Kühne

2 joint publications

Andreas W Hauser

2 joint publications

André Severo Pereira Gomes

2 joint publications

Lucas Visscher