CHE 616 - Molecular Simulation

(3 units)

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.

Grading Basis: Graded
Units of Lecture: 3
Student Learning Outcomes
Upon completion of this course, students will be able to:
1. apply engineering research and theory to advance the art, science, and practice of the discipline.
2. design and conduct experiments as well as to analyze, interpret, apply, and disseminate the data.
3. understand research methodology.

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