Theory of Complex Materials (2014–2015)

Former Research Group - Dr. Alaska Subedi

I am interested in understanding the interplay between the physical properties of materials and their structure and chemistry. I use first principles density functional theory calculations, sometimes in combination with dynamical mean field theory, to provide microscopic bases to the macroscopic properties of materials in terms of electronic structure, magnetic interactions, phonon dispersions, phonon instabilities, and electron-phonon couplings.

Such calculations provide a powerful way to clarify the appropriate physical models for materials and also to allow to answer how hypothetical changes to structure and chemistry might affect their physical properties. Thus, by being armed with a microscopic understanding of materials that exhibit complex properties, my aim is to devise ways for controlling and enhancing their figure of merit as well as screen ideas for discovering new materials.