Computational Materials Science
Modeling materials properties from first-principles DFT calculations
Transport of heat and charge: thermoelectricity
Carbon, Silicon, Germanium, IV-VI, 2D-TMDC materials
Keivan Esfarjani was educated in France and the US. His Phd was in condensed matter theory, and his research is now in the field of computational materials science. He tries to understand materials properties from first-principles atomistic calculations and use that knowledge to design new materials for energy conversion and storage. His research has been recently focused on modeling electron and phonon transport in a variety of materials, especially thermoelectrics, which are used to convert heat to electricity. His expertise is in modeling of charge and heat transport in a variety of materials. He develops novel methodologies and computer codes to perform and analyze these calculations.
His publications can be found here