本项目继续深化发展量子耗散级联方程方法，研究环境的调制和极化对量子动力学体系的影响。在现有的量子耗散理论框架，外场的作用和光谱的检测通常只考虑体系，在实际操作上环境也常常只考虑为不具有特征声子谱带的扩散型环境。但是真实环境可与外场存在相互作用，许多还具有特征的声子能带，例如在低温晶体、生物蛋白、纳米材料中，且能带结构受温度和外场调节发生变化，从而对体系的动力学产生影响。本项目拟进一步发展量子耗散级联方程组这一非微扰、非马尔可夫理论，以适用于环境存在调制作用和极化响应的真实复杂系统。通过模拟体系动力学及其光谱，结合第一性原理计算研究实际体系，并与实验组合作，为新型功能材料和能源问题的发展提供参考。

The proposed research is to further develop the hierarchical equations of motion formalism for the study of the influence of environmental polarization and modulation on quantum dissipative systems.The existing theoretical framework neglects the external field action directly on environments, which, however, can be important, especially for polarizable environments, such as crystals, proteins, and nanostructures. Also it is expected that environment with distinct phonon bands feature will significantly enhance the correlated system and bath coherence thus control the performance of quantum systems. In this project, the hierarchical equations of motion theory of non-perturbative and non-Markovian quantum dissipation will be further developed to include the above considerations, especially the bath polarization and modulation under external fields, and complex, structured environments. Dynamics together with spectroscopies will then be simulated to reveal the underlying mechanisms. The theoretical studies will also be carried out together with ab initio calculations and experimental studies for real systems. The proposed research in this project is expected to provide mechanistic insights in developing new functional materials and energy devices.