3:00pm - 4:00pm
Room 320 Havemeyer
New York, NY 10027
One of the central challenges in chemical physics research is to simulate the dynamics of open quantum systems. At first glance, this task seems to be solvable using modern computer simulation as long as one can write down differential equations that govern the time evolution of the quantum system. However, when trying to implement this in the condensed phase, one soon finds that the common truth of “conservation of difficulty”: No matter what approach one takes, the task is nearly always complicated by numerical scaling or stability issues. This dissertation explore dissipative quantum dynamics of several prototypical model systems via various approaches, ranging from approximate to numerically exact schemes. In particular, in the realm of the approximate I explore the accuracy of Padé-resummed master equations and the fewest switches surface hopping algorithm for the spin-boson model, and non-crossing approximations for the Anderson-Holstein model. To obtain numerically exact real-time dynamics, I develop new Monte Carlo approaches and test them on the spin-boson model.
Department of Chemistry, Columbia University, Havemeyer Hall, 3000 Broadway, New York, NY 10027, USA | 212-854-2202 | http://chem.columbia.edu/