CHEM164 PO - Computational Chemistry

When Offered: Fall 2024.
Instructor(s): D. O’Leary
Credit: 0.5

Introduction to the theory and practice of computational chemistry, including numerical methods, molecular mechanics/dynamics, and electronic structure calculations. Model chemistries will be discussed and compared in lecture along with their range of applicability. Laboratory exercises emphasize learning how to apply a variety of commercial and free software to chemical problems in biochemistry and materials chemistry. Lecture with three to four laboratory exercises. Prerequisites: MATH 032 PO or MATH 060 PO; one year of physics. Co-requisites: CHEM 158A PO or by instructor permission.