Matthias Krack

6PUBLICATIONS
34CO-AUTHORS
Statistical mechanics in chemistryComputational chemistryMetal cluster chemistryPyrometallurgyMetals and alloy materials
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Publications (6)

|Sep 08, 2026
The UZH protocol: Separating errors and constructing improved CP2K basis sets and pseudopotentials.

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

Marcella Iannuzzi, Jan Wilhelm, Frederick Stein

|Nov 14, 2024
Computational Study on the Octahedral Surfaces of Magnetite Nanoparticles and Their Solvent Interaction.

Anita S Katheras, Konstantinos Karalis, Matthias Krack

|Jan 15, 2024
Cobalt-free layered perovskites RBaCuFeO5+ (R = 4f lanthanide) as electrocatalysts for the oxygen evolution reaction.

Elena Marelli, Jike Lyu, Mickaël Morin

|Dec 22, 2023
Stability and Speciation of Hydrated Magnetite {111} Surfaces from Ab Initio Simulations with Relevance for Geochemical Redox Processes.

Anita S Katheras, Konstantinos Karalis, Matthias Krack

|Sep 28, 2021
Study of High-Temperature Behaviour of ZnO by Ab Initio Molecular Dynamics Simulations and X-ray Absorption Spectroscopy.

Dmitry Bocharov, Inga Pudza, Konstantin Klementiev

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Frequent Collaborators

2 joint publications

Anita S Katheras

2 joint publications

Andreas C Scheinost

2 joint publications

Sergey V Churakov

2 joint publications

Thomas D Kühne