Course Offerings: Theoretical

CHEM 740/7400 - Computational Chemistry

Semester: Winter 2024 Professor: M. Nooijen | Discipline: Theoretical | Campus: Waterloo
This course will provide a practical guide to quantum chemical calculations. The course will be held in a lab setting, and through meetings on Teams. Students will be performing calculations in small groups under guidance of the instructor. In addition, the lecture material will cover main topics in computational chemistry. A major component of the course is the computational research project. Each student in the class follows an individual trajectory, based on their interests and their ...

CHEM 745/7450 - Statistical Mechanics

Semester: Winter 2024 Professor: P.N. Roy | Discipline: Theoretical | Campus: Waterloo
The course covers selected topics in the simulation of nanoscale systems. A review of essential concepts of statistical mechanics will first be covered. Simulation techniques such as Molecular Dynamics and Monte Carlo methods will be described. The Feynman path integral formulation of quantum statistical mechanics will be introduced. Simulations methods based on the Path Integral formalism will be described. Applications to quantum fluids and confined molecules will be ...