Academic Catalog 2019–2020

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Courses

CHM425 Computational Chemistry

[0–4, 2 cr.]

This is a laboratory course that introduces students to computer methods and software used in computational chemistry. Emphasis is on quantum computer simulation methods including molecular orbital methods and density functional theory, statistical calculations, molecular dynamics and Monte Carlo, and Newton-Raphson techniques in solving thermodynamic equations.

Prerequisites: CHM330 Physical Chemistry I and CHM332 Physical Chemistry  II