Research



The research program can be divided into three main areas:

1. Mixed quantum-classical formulation of nonlinear spectroscopy


(a) Simulating the quantum dynamics of processes occurring in classical condensed phase hosts


Starting from the mixed quantum-classical Liouville (MQCL) equation of motion, it is possible to construct practical trajectory-based algorithms for simulating the dynamics of a quantum subsystem coupled to a classical environment. Over the past few years, several methods have been successfully applied in the treatment of simple model systems, but their implementation has been less straightforward in the case of more complex systems. It is our desire to develop and implement schemes based on the MQCL equation, which overcome the pitfalls of existing algorithms when dealing with complex, many-body systems.

(b) Under construction


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