University of Delaware 3 credits MSEG
This course introduces the fundamentals of computational modeling of materials across multiple length and time scales, from the atomic to the mesoscale. Topics include modeling atomic interactions, interatomic potentials, simulations of crystals or systems with periodic boundary conditions, classical molecular dynamics, Monte Carlo methods,and diffusion via random-walk models. Emphasis is placed on connecting atomistic simulations to macroscopic material behavior. The course builds on prior knowledge of classical mechanics, electrostatics, statistical thermodynamics, and linear elasticity. Prerequisite: C- or better in MSEG 211 and MSEG 212 and CISC 106 .
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