Computational Materials Science at the atomic scale

What we do:

Our  focus is  understanding the connection between microscopic physical phenomena and macroscopic mechanical behavior of engineering materials by state-of-the-art computational methods combined with theoretical considerations. Our research is at the intersection of materials science, physics and mechanics. We use atomic-scale computations- electronic structures and classical potentials- coupled to larger length scale continuum and statistical mechanics to improve and predict the properties of existing and new materials. We also, develop new techniques that extend the applicability of electronic structure calculations to a wider range of applications.

Our work is supported by: