Introduction to computational materials science. Multi-scale simulation methods; electronic structure, atomistic, micro-structure, continuum, and mathematical analysis methods; rate processes and rare events. Materials defect theory; modeling of crystal defects, solid micro-structures, fluids, polymers, and bio-polymers. Materials scaling theory: phase transition, dimensionality, and localization. Perspectives on predictive materials design. Same as CAS CH 455, GRS CH 572, ENG EC 572, ME 508; students may not receive credit for both.

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