CHE 578 - Introduction to Molecular Simulation

(3 credits)

Prerequisite(s): Graduate standing in Chemical Engineering or Permission of Instructor. Connection between mechanics and thermodynamics, statistical mechanics. Intermolecular forces. Basic principles, molecular dynamics and Monte Carlo simulation. Corresponding states and phase equilibrium from molecular simulation. Optional special topics. Examples of computer codes. Students who have passed CHE 478 may not register for CHE 578.

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