Overview
Description
Basic theory, methods, applications of molecular simulation, elementary statistical mechanics. Monte Carlo, molecular dynamics, ensemble averaging. Evaluation of free energies, phase equilibria, interfacial, transport properties.
Units
Lecture3
Learning Outcomes
- apply engineering research and theory to advance the art, science, and practice of the discipline.
- design and conduct experiments as well as to analyze, interpret, apply, and disseminate the data.
- understand research methodology.