CHEM 7870

Computational Methods of Physical Chemistry

Course Description

Course information provided by the Courses of Study 2024-2025.

This course will introduce students to analytical and computational methods useful for graduate-level research in both experimental and theoretical physical chemistry. These methods will be used to explore interesting topics in quantum mechanics and statistical mechanics. 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 Schrödinger equation, linear and nonlinear optimization techniques, stochastic/Monte Carlo methods, and Machine Learning.

When Offered Spring.

Prerequisites/Corequisites Prerequisite: one year of undergraduate physical chemistry, three semesters of calculus, and one year of college physics.

Comments The course is suitable for graduate students in chemistry and related fields, and for motivated undergraduates, including but not limited to chemistry majors. No previous programming experience will be assumed.

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