Das Tilak

• Interest in applications and development of the first-principles exchange-correlation functionals applied for the electronic and optical properties calculations for solids at ambient and extreme conditions. • Physical and physiochemical properties of solids at DFT, post-DFT hybrid functional level calculations as well as solving two-particles GW-BSE calculation for bulk or Quasi-2D solids: Excitons and Trions. • Experiences on the solid-solid, solid-gas, and solid-molecular interfaces studied from solvation-energy correct DFT tools implementation and applications in plane-wave approach: Proposition of Redox align- ment via materials modelling. • Expertise on catalysis devoted to CO2 reduction and or gas sensing, and searching eco-friendly energy resources from first-principles calculations. • Tuning electronic and magnetism in bulk and their ultra-thin films of oxides and 2D solids through mechanical strain and or external pressure: Spin-state transitions and spintronics. • Phonons, anharmonic effects, and Gibbs free energy calculations: Understanding structural stability and properties at the extreme conditions of pressure and temperature. • Single-atom catalysis: Applications and role of the external perturbation on the nature of the atom adsorption and penetration on supported 2D layers. • Preparation of high quality graphics for presentation of scientific results, data analysis and manuscript writing. • Interest on materials modelling from computational materials science and software technical skills and as well as being part of academic teaching in basic sciences.