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.
Requirements
Prerequisites
- with a “C” or better
CHE 245ME 303CHEM 421MATH 285
Original catalog text
Prerequisites
CHE 245 or ME 303; CHEM 421; MATH 285 with a “C” or better.
Units
Lecture3
Learning Outcomes
- identify, formulate, and solve complex engineering problems by applying principles of engineering, science, and mathematics.
- develop and conduct appropriate experimentation, analyze and interpret data, and use engineering judgment to draw conclusions.