Course Offerings: Theoretical

CHEM 740/7400 - Quantum Molecular Dynamics

Semester: Fall 2024 Professor: P.N. Roy | Discipline: Theoretical | Campus: Waterloo
This reading course provides an introduction to Quantum Molecular Dynamics approaches and their applications. A review of essential concepts of statistical mechanics will first be covered and the Feynman path integral formulation of quantum statistical mechanics will be introduced. Simulation techniques such as path integral Monte Carlo and path integral molecular dynamics will be discussed and illustrated with applications to quantum fluids, the spectroscopy of quantum clusters, the ...

CHEM 740/7400-01 - Quantum Mechanics in Chemistry

Semester: Winter 2025 Professor: M. Nooijen | Discipline: Theoretical | Campus: Waterloo
In the winter 2025 term the focus of the course will be electronic structure theory and some discussions of vibrational problems and coupled electronic-nuclear motion (non-adiabatic systems). The course will cover a description of the basic electronic structure problem introducing an atomic orbital basis set, Slater determinants and the Slater-Condon rules. Then we will cover Hartree-Fock theory in fair detail, and briefly discuss density functional theory, in analogy to Hartree-Fock.  We ...

CHEM 740/7400-02-QIC 890 - Spin-Based Quantum Information Processing

Semester: Winter 2025 Professor: J.D. Baugh | Discipline: Theoretical | Campus: Waterloo
This course is inspired by recent experimental advances in the field of solid-state quantum information processing (QIP), especially electron spin qubits realized in semiconductor nanostructures known as quantum dots (“artificial atoms”). It begins by covering the fundamentals of spin and angular momentum, QIP, semiconductor physics, quantum transport, and quantum dots. The course aims to equip students to fully comprehend the research literature in the field of semiconductor spin qubits ...