CHEM5650

This course provides an in-depth exploration of Molecular Dynamics simulation techniques with an emphasis on their applicability to real-world chemical problems. The principal objective is to equip students with the analytical skills required to critically evaluate and employ suitable computational methodologies for a range of challenges in the chemical sciences. Students will gain proficiency in operating modern simulation packages on a Linux-based high-performance computing environment. This hands-on experience is supplemented by instruction in specialized visualization software, enabling students to monitor simulations, perform initial data analyses, and produce high-quality figures. This multifaceted skill set will be applied to modeling the gas and condensed phase properties of small organic molecules and dynamics of larger biomolecular systems in solution.Credit for CHEM 5650 will not be granted if already received for CHEM 4650.Prerequisites: CHEM 4641 or CHEM 4642 or graduate student.

012739

Fall Even Year