Research

In our group, we use the state-of-the-art computational first-principles methods based on Density Functional Theory (DFT) to describe and explain the physics of materials, with the goal of improving and designing the materials for the next generation devices. The calculations we perform are all first-principles calculations, meaning that no experimental input is used. This allows not only to explain experimental observations, but also to make accurate predictions that can be used to guide experimental design of new devices. 

We use simulation packages such as vienna ab-initio simualtions package (VASP), WIEN2K, Quantum Espresso (QE), Gromacs, RASPA.