The Computational Materials Group (CMG) at UW-Madison 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. Currently, we have two grad students who also do experiments.

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