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, andinteratomic
potential modeling on massively parallel computersto 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.
