Our research group uses computer simulation to study the structure, properties, and processing of materials on the atomic
scale. We use a wide
range of computer modeling tools, both commercial and those developed by our group, ranging from
highly accurate quantum mechanics (electronic structure) methods to simple interatomic potentials. We work on a wide range of
projects, most of which involve a strong collaboration with industry and focus on critical materials needs.
(Left: Contour plot of
the Electron Localization Function for the Al(111)/a-Al2O3(0001)
Interface. Click on the image to learn more about our simulations
of metal-ceramic interfaces.)