Chemical Dynamics

Catalog description

Chemical dynamics provides a theoretical description of reactions, relaxation, and transfer events in molecular and condense-phase systems. The motion of molecules at finite temperature is important to understand chemical reactions in complex systems, especially when Born-Oppenheimer approximation breaks down. In this course, students will be introduced to theoretical and computational approaches of dynamics including classical molecular dynamics, quantum dynamics, rate theories, electronic and energy transfer theories, mixed quantum-classical dynamics, as well as semiclassical dynamics. The environment effects on chemical dynamics are discussed. Path-integral-based formalisms are introduced for treating nuclear quantum effects and theoretical frameworks of ultrafast spectroscopy are also included.