Ab initio electronic structure calculations for advanced functional materials

Biplab Sanyal
Department of Physics and Astronomy, Materials Theory, Uppsala University


Abstract:

It is now widely accepted that ab initio electronic structure calculations are extremely valuable in understanding and predicting complex properties of functional materials. In this regard, density functional theory has been established as the most popular and efficient method in the research fields of physics, chemistry and biology. In this talk, I will highlight some of the interesting topics in modern materials science connected to magnetism, organic-inorganic interfaces and complex dynamics (electron and magnetization). These are essential in developing materials for data storage, spintronics and ultrafast processes, which will lead to future innovative technologies.