Presentation: 2025 ND EPSCoR Annual conference 

October 21, 2025, NDSU Memorial Union, Fargo, North Dakota

Energy Transfer dynamics in Vibrational Polaritons

ENERGY TRANSFER DYNAMICS IN VIBRATIONAL POLARITONS: A QUASI-CLASSIThe study of vibrational polaritons has received attention in the Chemistry community not only because of their influence on chemical reactions but also because the hybrid characteristic of vibrational polaritons makes them suitable to possess interesting properties from both molecular and photonic systems and this can lead to new properties that are useful in photonic and quantum technology.1 This research investigates vibrational polaritons, the interplay between light and molecular vibrations, employing a quasi-classical treatment of cavity modes. The study focuses on discerning the trajectories of the expectation value of the field amplitude, derived from the Heisenberg equation of motion for the nuclear position of the molecular system and the amplitude of the electric field. This study delves into the concepts of energy transfer between photons (electromagnetic degree of freedom) and phonons (vibrational degree of freedom), unveiling insights into this interaction without perturbing chemical bonds or inducing reactions. The molecular dynamics calculation of the Hydrogen fluoride (H-F) molecule and the examination of the photonic degree of freedom within the realm of vibrational polaritons provide a perspective on the relationship between light and matter. Our approach integrates a quasi-classical approach/approximation, contributing to an understanding of how energy dynamically traverses between light and matter. Notably, the results highlight trends as the coupling strength intensifies. A noticeable decrease in the expectation value of the field signifies strengthened interactions between light and matter.