Miroslav Kolos and František Karlický published a new paper!

All posts, PublicationsBy Marie Musiolkova 13. 5. 2025

Computational screening of MXene-based catalysts for chlorinated hydrocarbons removal Link here: https://iopscience.iop.org/article/10.1088/2515-7639/add37d Abstract: Chlorinated hydrocarbons, widely used in industrial applications, pose significant environmental and health risks due to their persistence and toxicity. Conventional remediation methods often face efficiency limitations, necessitating the exploration of innovative materials for effective pollutant degradation. MXenes, a novel class of two-dimensional…

Taoufik Sakhraoui represented our team at the APS Global Physics Summit 2025!

All posts, ConferencesBy Marie Musiolkova 22. 3. 2025

Taoufik Sakhraoui gave an excellent presentation at the APS March Meeting 2025, the largest physics conference in the world, held on March 16–21 in Anaheim, California. In his talk, he presented research focused on the electronic and magnetic properties of two-dimensional materials based on graphitic carbon nitride, using the DFTB method. The conference, which annually…

PhD position opening in ab initio Modeling of Nanostructures

All posts, Job offersBy Marie Musiolkova 17. 3. 2025

The Nanostructure Physics Group at the University of Ostrava, Czech Republic, announces an opening for a PhD position in the field of ab initio modeling of nanostructures. Selected features of 2D materials, nanoparticles, or clusters (like their interactions/interfaces, electronic structure, optical properties, and suitability for photocatalysis) will be studied by density functional theory and beyond.…

PhD position opening in Computational Catalysis

All posts, Job offersBy Marie Musiolkova 11. 3. 2025

The Nanostructure Physics Group at the University of Ostrava, Czech Republic, announces an opening for a PhD position in the area of computational catalysis. The selected candidate will focus on the computational design and theoretical understanding of cluster/supported materials and single-atom catalysts (SACs) for catalytic energy conversion reactions, including oxygen evolution (OER), oxygen reduction (ORR),…

PhD position opening in Electronic structure quantum Monte Carlo

All posts, Job offersBy Marie Musiolkova 6. 3. 2025

The Nanostructure Physics Group at the University of Ostrava, Czech Republic, announces an opening for a PhD position in the area of Electronic Structure Quantum Monte Carlo development and applications. Field: Physics of NanostructuresUniversity: University of OstravaLocation: Ostrava, Czech RepublicAdvisor: Dr. Matúš Dubecký (https://www.webofscience.com/wos/author/record/P-1720-2016) What We Offer: Requirements: Admission Procedure: The admission process begins with…

PhD position opening in molecular modeling of biomolecules

All posts, Job offersBy Marie Musiolkova 3. 3. 2025

The Department of Physics at the University of Ostrava, Czech Republic, announces an opening for a PhD position in the area of molecular modeling of biomolecules with a focus on molecular dynamics simulations of nucleic acids and proteins. The candidate will be involved (among others) in development of molecular databases for machine learning and force…

Miroslav Kolos and František Karlický published a new paper!

All posts, PublicationsBy Marie Musiolkova 23. 1. 2025

Predicting Fundamental Gaps of Chromium-Based 2D Materials Using GW Methods Link here: https://doi.org/10.1021/acs.jpcc.4c07981 Abstract: Precise and accurate predictions of the two-dimensional (2D) material’s fundamental gap are crucial for next-generation flexible electronic and photonic devices. We, therefore, evaluated the predictivity of the GW approach in its several variants built on various density functional theory (DFT) inputs.…

Vladimír Kolesár has successfully completed his studies!

All posts, StudentsBy Marie Musiolkova 16. 12. 2024

On December 13, 2024, our PhD student Vladimír Kolesár successfully defended his dissertation on the topic “Investigating Inaccuracies of the Single-Determinant Fixed-Node Diffusion Monte Carlo Method in Non-Covalent Systems,” thus completing his doctoral studies. We warmly congratulate our fourth graduate and wish him great success in his future career!

Another publication success for the Nanostructure Physics Group!

All posts, PublicationsBy Marie Musiolkova 23. 9. 2024

The effect of mixed termination composition in Sc, Ti, and V-based MXenes Link here: https://doi.org/10.1039/D4CP01397B Abstract: In this study, we investigate the effect of mixed surface terminations (F, O, OH) on the properties of M2C MXenes (M = Sc, Ti, V). We explore how different compositions and patterns of terminal groups affect the stability and…