Course Information

BI7843 Molecular Modeling and Simulation

Credits: 3.00

This course introduces principles and applications of modern molecular modeling and simulations methods, using commercial software packages on powerful computer workstations. Algorithms for visualizing and predicting structural and physical properties of molecules and molecular aggregates are taught, based on principles of quantum, classical and statistical mechanics, which are in a mathematically simplified form. Commercial software packages are applied to illustrative problems in physical chemistry, chemical engineering, biology and medicine

Prerequisites: Completion of core undergraduate courses in mathematics and science (grade C or better) in CM, CH, ME, EE, CS, PH or CE, or equivalent.