Computational Methods for Chemists

4 units · Undergraduate upper division (100-199)

Lecture, one hour; laboratory, four hours. Requisites: courses 110A, 113A, Mathematics 33A. Covers some basics of scientific coding. Introduction to advanced applications provided through commercially available computational packages. Includes quantum mechanical techniques for chemistry, reactivity, spectroscopy, solid state calculations; statistical mechanical techniques for chemistry and biochemistry; python coding, basic algorithms, machine learning, and numerical techniques. Concurrently scheduled with course C226A. P/NP or letter grading.