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Course Information

Computational Chemistry (CHEM164 PO (UG25))

Semester: Fall Term 2025 (UNDG)

Faculty

Daniel J. O'LearyShow MyInfo popup for Daniel J. O'Leary
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Schedule

Mon, 1:15 PM - 2:30 PM (8/25/2025 - 12/12/2025) Location: PO (Edmunds 229 - Lecture Only)

Description

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 3-4 laboratory exercises. Prerequisites CHEM110B PO.