Table of Contents
Course Overview
Molecular simulations are ubiquitous across a broad range of engineering disciplines, including pharmaceutical development, energy storage technology, and chemical process design. This course introduces undergraduate level engineering students to the fundamentals and applications of molecular simulations. The first half of the course reviews classical mechanics and thermodynamics, leading to an introduction to classical statistical mechanics. Building on these concepts, the second half of the course will focus on molecular simulation techniques, packages, and applications to modern engineering problems.