Presents the fundamentals of molecular modeling in engineering in the context of nanoscale mechanical engineering applications. Statistical mechanics and its connection to engineering thermodynamics. Molecular origin and limitations of macroscopic descriptions and constitutive relations for equilibrium and non-equilibrium behavior. Introduction to molecular simulation, solid-state physics and electrokinetic phenomena. Discusses molecular approaches to modern nanoscale engineering problems. Graduate students are required to complete additional assignments with stronger analytical content.
Spring 2021 Update: Fully Remote Class.
Professor; Co-Director, Center for Computational Science and Engineering; Associate Director, Center for Exascale Simulation of Materials in Extreme Environments; Graduate Officer