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Simulation of two-dimensional optical spectra with open quantum dynamics


   School of Chemistry

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  Dr G Jones  No more applications being accepted  Self-Funded PhD Students Only

About the Project

Over the past decade, two-dimensional optical spectroscopy (2DOS) has revolutionised our ability to investigate structure and dynamics in chemical systems on the femtosecond timescale. These processes include solvent reorganization, spectral diffusion, vibronic coupling, nuclear wavepacket dynamics and electronic energy transfer which is the focus of this work. Importantly 2DOS is a powerful technique for probing coherent superpositions between exciton states, which allows for the identification of electronic and vibronic couplings, which are both intrinsic to the electronic energy transfer process.

This project involves the development of computer codes (written in Python and Fortran) to investigate quantum dynamical phenomena such as wavepacket dynamics and resonance energy transfer. In particular we will focus on the role that molecular vibrations play in the energy transfer process, and how these are manifested in 2D spectra.

This will involve strong interactions with the ultrafast group at UEA, led by Prof Steve Meech.


Funding Notes

This PhD project is offered on a self-funding basis. It is open to applicants with funding or those applying to funding sources. Details of tuition fees can be found at https://www.uea.ac.uk/about/university-information/finance-and-procurement/finance-information-for-students/tuition-fees
A bench fee is also payable on top of the tuition fee to cover specialist equipment or laboratory costs required for the research. Applicants should contact the primary supervisor for further information about the fee associated with the project.

References

i) Green, et al. The Journal of Physical Chemistry A, 122, 6206-6213, 2018
ii) Green et al. The Journal of Chemical Physics, 151, 174112, 2019
iii) Bressan et al. The Journal of Physical Chemistry A, 123, 1594-1601, 2019
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