ENMA400

Prerequisite: ENMA300, MATH206, and ENMA460. Recommended: Basic knowledge in quantum mechanics (preferred but not required); basic knowledge in statistical mechanics (preferred but not required). Also offered as: ENMA600. Credit only granted for: ENMA489A, ENMA400, ENMA698A, or ENMA600. Formerly: ENMA489A. This is an introductory course designed to study atomistic modeling and simulation techniques used in materials research. This course covers the theories, methods, and applications of atomistic-scale modeling techniques in simulating, understanding, and predicting the properties of materials. Specific topics include: molecular statics using empirical force fields; quantum mechanical methods including density functional theory; molecular dynamics simulations; and Monte Carlo and kinetic Monte Carlo modeling.