Mechanical & Industrial Engrg 597E - ST-Intro to Comp Materials Sci

An introduction to atomic scale simulations for materials science applications relevant to the design and optimization of materials, especially at the nanoscale. Topics include numerical techniques, algorithms, and simulation procedures commonly employed to study the energetics and kinetics of surfaces, to compute bulk properties of solids, and to model defects in solids. Hands-on experience with standard modeling and visualization packages and with writing small simulation programs.