Quantum Dynamics and Dissipation

最近，我们开发了一种将经典分子动力学与量子玻尔兹曼统计相结合的新方法“Matsubara动力学”，该方法目前已应用于液态水。这个项目的目的是扩展这种方法，以更好地理解能量耗散如何影响量子相干和退相干。该项目的主要目标之一是开发一种“运动层次方程方法”，将耗散效应纳入松原动力学，这将使我们能够将量子相干性的影响从经典相干性中解脱出来。新方法的两个应用领域是光化学和电荷转移反应。

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.