Molecular Modeling

Catalog description

This course will provide students with an understanding of the methods, capabilities, and limitations of molecular modeling. It will consist of the following topics: theory, methods, and hands-on application of molecular simulation. Elementary statistical mechanics, overview of molecular modeling approaches, basic probability and statistical analysis. Students will work in small groups to study a sample system using high performance computing (HPC) cluster resources and present their findings at the end of the semester. Prior experience with advanced calculus and thermodynamics is advised.