Computational Methods in Materials Science

ENG EC 572

Graduate Prerequisites: (ENGEC577) consent of instructor - 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. Topics covered include tight binding theory, density functional theory, and many-body perturbation theory. Lectures provide the theoretical framework for computation. Same as CAS CH 455, GRS CH 572, ENG MS 508. Students may not receive credit for both.

FALL 2024 Schedule

Section Instructor Location Schedule Notes
A1 Sharifzadeh KCB 102 MW 10:10 am-11:55 am Mts w/ENG MS508 Mts w/GRS CH752

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