Academic Catalog 2016–2017

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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