Course Information

Chemistry 4390 – Winter 2019
Introduction to Molecular Simulation and Statistical Mechanics


Instructor:             Professor Tom Woo

Office:  D’Iorio Hall 303  (please knock if the door is shut)
Lab:  558 King Edward 2nd floor   (check lab if I’m not in my office)
Phone: (613) 562-5800 ext. 6145     lab: ext  6485
Office Hours:  email for appointment


Tuesdays 17:30 – 20:30 MNT 142

Description: This course provides a practical introduction to modern molecular simulation techniques that are widely used as tools in chemical research. More specifically, classical molecular dynamics and Monte Carlo simulation methods are discussed.  The necessary statistical mechanics required to understand and properly interpret the molecular simulations and link the results to measured bulk properties are also be introduced.  Lectures and assignments include hands-on exercises where simulations are setup, performed, and analyzed by the students with software packages in common usage by researchers. An introduction to modern scientific computing environments and the Linux operating system is also provided.

Course Outline:  Click here to download the course outline

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