Armin Penz

7PUBLICATIONS
11CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Inorganic materials (incl. nanomaterials)Mathematical aspects of general relativityTerahertz physicsOptical properties of materials
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Publications (7)

|Oct 29, 2026
Assessing Structural, Thermal, and Mechanical Properties of Zirconium-Based Metal-Organic Frameworks via DFTB3/3OB MD Simulations: A Benchmark Beyond UiO Frameworks.

|Apr 02, 2026
Tackling Orientational Isomerism in Metal-Organic Frameworks Comprising Low-Symmetry Linker Molecules via Simulated Annealing Featuring a Neural Network Potential.

Benedikt E Hörfarter, Stefan Seiwald, Clemens Hofstötter

|Mar 12, 2026
DFTB Parametrization at the Example of Platinum-Implementation, Validation and Practical Considerations.

Felix R S Purtscher, Armin Penz, Josef M Gallmetzer

|Feb 19, 2026
Rare 3 × 3 Layering in High-Pressure Pseudo-Perovskite Sr4Te4O15.

Benjamin J Pullicino, Armin Penz, Martina Tribus

|Dec 24, 2025
Structure-Function Correlation in Switchable DTE@MOF Hybrids: Tracking Local Dynamics and Fatigue Pathways.

Markus Rödl, Eva Neuner, Armin Penz

|May 26, 2025
Parametrization of Zirconium for DFTB3/3OB: A Pathway to Study Complex Zr-Compounds for Biomedical and Material Science Applications.

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Frequent Collaborators

6 joint publications

Thomas S Hofer

3 joint publications

Felix R S Purtscher

2 joint publications

Gunter Heymann

2 joint publications

Josef M Gallmetzer