Computational Chemistry

Catalog description

The foundations for the application of computational simulations based on physical concepts to investigate and understand biological systems at the molecular level. Topics include: various areas of physics, with emphasis on classical mechanics and molecular quantum mechanics. While the mathematics is not onerous, students should have a working understanding of quantum and classical mechanics, electrostatics and magnetism, as well as linear algebra and calculus. No prior knowledge of biology or biochemistry is required, only a commitment to learning fundamental principles and an alternative approach for thinking of complex systems. Emphasis is on fundamental Quantum and Classical methods behind the simulation procedures and simulation methods. At the completion of the course, students will: 1) Understand and perform molecular simulations with Quantum Mechanics methods; 2) Understand and perform molecular simulations with Molecular Mechanics methods; 3) Perform calculations on small molecules and biomolecules; and 4) Become familiar with high performance computing (HPC) environments. Prerequisite(s): CHEM 3721 Lecture Hours: 3 Lab Hours: 0 Other Hours: 0 Contact Hours: 3 Repeatability: May be repeated for credit one time. Grade Mode: N- Normal (A, B, C, D, F) Schedule Type (Primary): Lecture Click here for the Schedule of Classes.