Course Descriptions

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CHEM 870 : Computational Methods in Chemistry

Prerequisites: Upper division or graduate standing; one year of undergraduate physical chemistry.
Description: Introduction to quantum chemical and classical mechanical methods for the computation of molecular structure, molecular spectroscopy, liquid state transport properties and molecular reactivity for small and large molecules, including solids and interactions at surfaces. Hands on use of four software packages: Gaussian 09, AMBER molecular dynamics, LAMMPS dynamics for mesoscopic systems, and BEST for molecular hydrodynamics. (Plus-minus letter grade only.)
Units: 3
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