- Postdoctoral Research Associate
- Quantum simulations using DFT and beyond DFT methods for atomic-scale investigation
of nano- to meso-scale materials.
- Diffusions mechanisms and interaction of molecules on catalytic surfaces and through
- Electronic and Magnetic properties of condensed and 2D materials.
- Investigation of protein and metallic clusters interaction using MD and MM/QM methods.
- Incorporation of machine learning in DFT for the high-throughput unraveling of new
and optimal material functionalities and accelerated drug designing.