The
Computational Materials Group at
UW uses atomic scale modeling to understand and design new materials. We
employ highly accurate ab initio
(first-principles) techniques to study electronic structure and
energetics of smaller systems, and interatomic potential modeling on massively parallel
computers to study up to
hundreds of millions of atoms. These core approaches are combined with a
wide-range of other atomistic methods, including Monte
Carlo, coarse graining, data mining, thermodynamics, and statistical
physics. These tools allow us to look deeply and quantitatively at
materials phenomena over an extensive range of time and length scales.
