Cycle / Years
40th cycle [2024-2027]
Contacts
Supervisor(s)
Prof. Giovanni Granucci, Prof. Claudio Amovilli
Title of the PhD project
Modeling the dynamics of exciton-polaritons of multi-chromophoric systems
Abstract of the PhD project
Polaritonic states are hybrid states that emerge when there is a strong enough interaction between light and matter. In organic molecules, strong coupling can form exciton-polaritons. These have displayed interesting phenomena, including superfluidity, long-range energy propagation, and controlled chemical reactions. Exciton-polaritons, especially those formed under cavity-free conditions, are potentially interesting for optoelectronic applications, light harvesting, and polariton-mediated chemistry.
This PhD project aims to theoretically investigate the properties and dynamics of exciton-polaritons that form in different systems, such as plasmonic or Fabry-Perot cavities, or in cavity-free conditions. To treat multi-chromophoric systems, the exciton model will be used in the construction of potential energy surfaces. The interaction between the system and the possibly present external environment will be taken into account using a quantum mechanics/molecular mechanics (QM/MM) scheme. System dynamics will then be studied using trajectory-based mixed quantum-classical schemes, specifically the Direct Trajectory Surface Hopping (DTSH) method.
Academic Fields and Disciplines (SSD), main and secondary
CHIM02
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