ML-assisted design and characterization of oxide-supported metal nano-catalysts

Use of ML-accelerated (and quantum chemistry-supported) simulations for bottom-up design of metal/metal-oxide cluster-based supported nanocatalysts for sustainable chemistry applications.The grand challenge in the field of supported nanocatalysts is to design …

The role of acid-base equilibria in polyelectrolyte complexation and biomolecular condensation

Electrostatic interactions are one of the main driving forces of both, complexation of synthetic polyelectrolytes, and formation of biomolecular condensates. The net charge of these molecules is determined by the …

Doctoral Programs at the Department

The Department of Physical and Macromolecular Chemistry is pleased to present its diverse range of doctoral study programs for the academic year 2025. Each program is designed to provide in-depth …

Open doors of the Faculty of Science

Welcome to the laboratory of Physical and Macromolecular chemistry! You will see recyclation of plastics, electrochemistry, molecular simulations, smart polymeric materials and modern catalysts.

Simulations of polyelectrolytes

We study the behavior of polyelectrolyte solutions and gels, including linear, branched, star-like, and comb-like architectures. Our focus includes infinite gel networks, dissociation in weak polyelectrolytes, and polyampholytes, providing insights …