L07 Chem 478 Molecular Modeling

A survey of a wide range of techniques and applications in molecular modeling and computational chemistry, including "ab initio" quantum mechanics, semi-empirical MO theory, molecular mechanics, molecular dynamics simulation, coarse-grained models, electrostatic methods and biomolecular structure prediction. In addition to traditional lectures, students gain hands-on experience with a variety of computer modeling programs, and are expected to complete an individual project in their particular area of interest. Prerequisites: previous course experience in physical chemistry at the level of Chem 401–Chem 402, or permission of the instructor. Some familiarity with computer basics (text editing, simple scripting and using the "command line" in either Linux, Windows or Mac OS X) is recommended.

Credit 3 units. A&S: NS A&S IQ: NSM Arch: NSM Art: NSM

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