CHEM 7870 - Mathematical Methods of Physical Chemistry

Fall. 4 credits. Letter grades only.

Prerequisite: one year of undergraduate physical chemistry, three semesters of calculus, and one year of college physics. The course is suitable for graduate students in chemistry and related fields, and for motivated undergraduates, including but not limited to chemistry majors.

R.A. DiStasio Jr., M.A. Hines.

This course will provide the mathematical background needed for graduate level study of topics in physical chemistry, such as quantum mechanics and statistical mechanics, as well as a set of analytical and computational tools useful for research in both experimental and theoretical physical chemistry. The goal of this course is to bridge the gap between the analytical techniques taught in introductory courses and the computational (and visualization) methods required for modern research problems. Topics explored will include: Scientific Programming and Visualization, Numerical Solution of the Schrodinger Equation, Variational Methods and Optimization Techniques, Self-Consistent Field Solutions to the Hartree-Fock Equations, Stochastic/Monte Carlo Methods, 2D Ising Model, Molecular Dynamics, and Special Topics in Machine Learning and Data Analysis.