Computational Materials Science

 

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.)

 
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bulletNew EAM Potential Database (in development)
bulletNew Group members:
bulletPaul Schuck
bulletVASP scaling data for SGI Origin2000 and RoadRunner Cluster.
bulletDownload FACET (Visualization of Polycrystalline Thin Film Growth)
bulletInformation for Prospective Students
bulletCMS Group Research Overview (Dr. Adams' CSSS Talk) (Spring 2002)
bulletMaps and directions to CMS Office