Electronic Structure

Many-Body Perturbation Theory Calculations of Anatase TiO₂

Calculation of electronic structure and optical properties of anatase TiO₂ using Green's function based methods.

Time-Dependent Density Functional Theory

Simulating laser-driven electron dynamics in solids using TDDFT

DFT simulation of anatase TiO₂

Optimization of structure of anatase TiO2 in the Ground state and its electronic and optical properties.