Schäfer, C. (2025, October 7). Ab initio QED and its application to Chemistry, Plasmonics, and Laser-design [Presentation]. ITP (Institut für Theretische Physik) Seminar 2025, Wien, Austria. http://hdl.handle.net/20.500.12708/220866
ITP (Institut für Theretische Physik) Seminar 2025
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Event date:
7-Oct-2025
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Event place:
Wien, Austria
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Keywords:
Polaritonics; QED Chemistry; Ab initio QED
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Abstract:
Strong confinement of electromagnetic modes enables frequent energy exchange between light and matter, potentially leading to the formation of hybrid light-matter states known as polaritons. To quantitatively understand how light influences materials, it is essential to treat light and matter on equal footing.
In this context, I provide an overview of ab initio quantum electrodynamics (QED) and illustrate its diverse applications, including the mode- and enantiomer-selective control of catalytic reactions. We discuss how strong coupling between optical and vibrational modes can modify chemical reaction rates [1–2], and we demonstrate that charge transfer in plasmonic catalysts can be enhanced by nearly a factor of seven through polaritonic effects [3].
Finally, the theoretical prediction of vibrationally induced resonances in the lasing behavior of organic molecules [4] highlights the potential of ab initio QED to drive progress on both sides of the light-matter interface.
[1] C. Schäfer, J. Flick, E. Ronca, P. Narang, and A. Rubio, Nature Communications, (2022) 13:7817.
[2] C. Schäfer, J. Fojt, E. Lindgren, and P. Erhart, J. Am. Chem. Soc. 2024, 146, 8, 5402-5413.
[3] J. Fojt, P. Erhart, C. Schäfer, Nano Lett. 2024, 24, 38, 11913–11920.
[4] K. Müller, K. Luoma, C. Schäfer, arXiv.2405.05093.