Research Topics
PLASMONICS FOR CATALYSIS
Currently, my research is focused on the interaction of light with plasmonic nanoparticles and the application of plasmonics to catalysis. More precisely, 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.
RADIATION DAMAGE IN MATERIALS
I have been involved in various projects studying the response of matter to irradiation. The investigation of radiation damage in functional materials and biological matter are relevant for many areas, such as radiation therapy, nuclear power, 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
PROPERTIES OF MULTICOMPONENT ALLOYS
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