In the last century quantum mechanics and computational technology developed enough that we are able to simulate the behavior of chemical systems using different approximations of Schrodinger- and Dirac- equation. We can predict the shape of molecules, the color and electric properties of many materials and can simulate chemical reactions etc. The focus of my research is performing such calculations on chemical systems to aid experimental efforts.
With the advancement of nanotechnology, many different fields like mechanical engineering, physics and chemistry converged to research fields like fuel cell technology or medical sciences. New materials, like graphene or carbon nanotubes can bring breakthrough in many of these areas. However structures of nanotechnology are significantly larger than regular molecules: consist of hundreds, thousands of atoms. Therefore the prediction of their properties and simulation of their behavior is more challenging.
Our laboratory performs large scale simulations on carbon nanotubes with strong focus of electrical and optical properties.
My publications and profiles
My Google Scholar profile: (link)