A semiclassical approach to modelling relaxation dynamics in photoexcited polymer chains.
Duration : January 2021 - June 2021
Supervisor : Prof. Dr. Jeremy Richardson
Institute : ETH Zurich
For my undergraduate thesis, I had undertaken a study of mapping based methods, a semiclassical approach, to studying nonadiabatic quantum dynamics. The primary goal of the study was determing the efficacy of the generalized spin-based mapping approach capturing one-time correlation functions in large systems. A conjugated polymer chain, modelled as a tight-binding Hamiltonian, studied previously by Mannouch et. al (2018) was selected as a benchmark. Further, taking inspiration from the tight-binding form of the Hamiltonian, an SU(2) based formalism was explored as a suitable mapping. This formalism, which contrasted the SU(N) assumption underlying in the generalized spin mapping, was extended to large systems. However, I didn’t have the opportunity to thoroughly test this alternative method.
Some reference and resources you may find interesting:
Do get in touch for more details!