Introduction to Atomistic Modeling in Materials

3 Credits

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.