Modelling Light-Matter Interactions with Atomic Resolution

Ruth Tichahuer Universidad Autónoma de Madrid

In addition to their advantageous size, cost-eLective and reproducible synthesis [1], the large binding energy of Frenkel excitons makes organic molecules promising candidates for future applications in energy harvesting [2], transport [3-5], and the design of novel quantum devices [6] relying on room temperature polariton formation [7,8]. However, the complex photo-physics taking place in such emitters, challenges conventional quantum optics approaches that consider idealised two-level systems characterised by a well-defined (broadened) resonance.

Employing an atomistic QM/MM description, we develop an approach [9,10] that captures the photo-chemistry within such molecules in the presence of intense and inhomogeneous electromagnetic fields emerging in plasmonic or hybrid metallo-dieletric nano-resonators of arbitrary shape [11,12]. I will introduce the model and share insights concerning the excitation dynamics of systems composed of organic molecules embedded in photonic resonators of various shapes.

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[11] I. Medina et al., Phys. Rev. Lett. 126, 093601 (2021)

[12] M. Sánchez-Barquilla et al., Nanophotonics, 11 (2022)