Courses with significant overlap with this course:

Semester of last offering:

Date of approval: dd-mmm-yyyy

Prerequisites: 

Course Contents

Theory methods and application of molecular simulation. Elementary statistical mechanics. Molecular modeling. Basic Monte Carlo and molecular dynamics techniques and ensemble averaging. Evaluation of free energies, phase equilibria, interfacial properties, and transport and rate coefficients. Applications to simple and complex fluids and solids. Commercial simulation software.