关于举行华南理工大学姚尧副教授学术报告的通知

报告题目：Simulation of ultrafast exciton dynamics in OLED and OPV

报 告 人：姚尧副教授（华南理工大学物理系）

邀 请 人：叶轩立 教授

报告时间：2017年11月27日（星期一）下午3:30

地  点：北区科技园发光材料与器件国家重点实验室502室

报告摘要

Benefiting from the recent development of time-resolved spectroscopy technology, people have observed numerous ultrafast excitonic processes in organic semiconductors with the timescale being of tens to hundreds femtoseconds and non-adiabatic phenomena caused by the crossing of potential-energy surfaces. In principle, an accurate solution of the coherent exciton dynamics in molecular systems can help understand these ultrafast non-adiabatic processes, however such kind of molecular dynamics comprising the electron-nuclear couplings is nontrivial and requires breaking the Born-Oppenheimer approximation, which is one of the basic assumptions in quantum chemistry. For the sake of properly dealing with this coherent dynamics, in the recent years several dynamical methodologies have been invoked. But the quantum dynamics simulation for systems with a large number of degrees of freedom is so far a great challenge due to the exponential divergence of the computational cost. In this talk, I present a modified t-DMRG algorithm which can be used to simulate the non-adiabatic processes in realistic molecular system with discrete vibrational modes and vibronic coupling parameters for respective electronic states. I will discuss several cases relating to ultrafast exciton dynamics, such as the charge-transfer process, the singlet fission, and the magneto-electroluminescence in OLED.