Math&ComputationalMethodsChemistry (CHEM 3545)

Term: 2026-27 Academic Year Spring Semester

Faculty

Dr. THIAGARAJAN Soundappan
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Schedule

Mon-Wed, 12:30 PM - 2:20 PM (1/15/2027 - 5/13/2027) Location: MAIN WTLAB 114

Description

Mathematical & Computational Methods in Chemistry is designed to promote the integration and application of computational methods for students with little to no background in computational chemistry. This course provides a broad overview of modern computational methods in pure and applied Chemistry and other STEM fields. Students will have the opportunity to explore different state-of-art computational packages including visualization software. The program is interdisciplinary in its focus, and students are required to complete course work in chemistry, mathematics, computer science, biology, and engineering. A computational biology track is available for students interested in premedical and biomedical applications. Topics covered will include Statistical Mechanics, Monte Carlo and Molecular Dynamics simulations, concepts of atomic and molecular structure, spectroscopy from computational perspective, chemical bonding, Quantum Chemistry, Electronic Structure Theory, and Computational M