Research

Currently, my research is focused on the interaction of light with plasmonic nanoparticles and the application of plasmonics to catalysis. I am investigating the applicability of non-adiabatic dynamic simulations (Ehrenfest dynamics) to the description of molecular dissociation in the vicinity of a metallic nanoparticle under light irradiation. Click the Link to see my recent publication showing the drawbacks of the currently accepted approach to model plasmonic catalysis.

I have been involved in various projects studying the response of matter to irradiation in application to radiation therapy and Space exploration. I applied time-dependent density functional theory (TDDFT) methods to accurately predict the effect of impacting particles on different target materials, including semiconductor solar cells, liquid water, metals, and polymers. For an example of such studies, please follow the Link.

Multicomponent alloys (MA), otherwise called High-Entropy alloys (HEA), or Complex Concentrated alloys (CCA), are a new class of promising materials with enhanced mechanical properties and high radiation resistance. My research within the ELKARTEK project  "Development of High Entropy Alloys of Low Density" focused on the investigation of structure-properties relationship in MA by means of density functional theory calculations. Link