Computational Chemistry and Molecular Modeling

Catalog description

Description: This course introduces the concepts, tools, and possibilities for computational modeling of molecular systems. Primary topics of study include classical molecular mechanics simulations, quantum mechanical calculations, and molecular graphics & visualization. One key effort will be introduction into the usage of high performance computing systems. Such instruction on the use of the computational resources available at OSU will be provided in hands-on computer exercises that involve constructing, performing, and analyzing molecular simulations and calculations. May not be used for degree credit with CHEM 5433 .