CH 547 Computation Chemistry & Molecular Modeling
This course provides an introduction to computational chemistry that is suitable for graduate students and advanced undergraduate students. Topics covered include a historical introduction to the subject, quantum mechanics, molecular mechanics, a brief introduction to statistical mechanics, and a short review of thermodynamics. Students are required to solve theoretical problems and application problems using computational software (software that students might be required to purchase). Example problems and applications are drawn from organic chemistry and biochemistry.