Quantum Dynamics and Dissipation

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Recently we developed a new approach 'Matsubara dynamics' of combining classical molecular dynamics with quantum Boltzmann statistics which is currently being applied to liquid water. The aim of this project will be to extend this approach to better understand how dissipation of energy affects quantum coherence and decoherence. One of the main aims of the project will be to develop a 'hierarchical equations of motion approach' for including dissipative effects into Matsubara dynamics, which will allow us to disentangle the effects of quantum coherence from classical coherence. Two areas of application of the new methodology are expected to be photochemistry and charge-transfer reactions.