My theoretical work focuses on elucidating the role of coupling between vibrational and electronic motions in delocalizing energy and charge. I am particularly interested in exploring how “effective modes” can be applied in the context of singlet exciton fission to better understand exciton dynamics. To achieve this, I construct Frenkel-Holstein Hamiltonians and diagonalize them (instead of using ab-initio methods, which are impractical due to the large number of electronic degrees of freedom along with the breakdown of the Born-Oppenheimer approximation under vibronic mixing regimes) to obtain physical observables.
Take a look at my MS Thesis here: MS_Thesis_IISc (had studied the role of near resonant high frequency vibrations in acenes which interestingly helps broaden the resonance width rather than acting as channels for dissipating energy).
Took a slight detour, learnt to draw Feynman Double Sided diagrams to write molecular responses which is "connected" to the macroscopic polarizability and third-order non-linear response from a material. Will be sharing a hitch-hikers guide to 2DES soon! Stay tuned.
As a side project, I am mixing light with matter and vibrations which can shine light on the otherwise "dark" excitonic states and show interesting properties. Connecting collective coupling to vibronic mixing has been an interesting journey!
On the experimental front, I have begun working on studies of cavity-based samples.
Energy Level Diagram depicting mixing b/w excitonic states and light
MZ Interferometer Setup