Computational Materials Science

Catalog description

This course will cover modern computational techniques for the prediction of materials properties, beginning from the scale of electrons and atoms and connecting to materials challenges in experiments today. Subjects covered will include Schroedinger's equation and density functional theory, molecular dynamics, and so-called multiscale approaches to connect quantities computed at the nanoscale to macroscopic properties. The class will incorporate specific examples as explicit computer exercises. The course is expected to provide an atomic-scale understanding of materials for both students with a primarily computational interest and those students whose research is primarily experimental. Open to graduate students; instructor consent required for undergraduate students to enroll.