QED Embedding Techniques

Electromagnetic environments, may they describe large ensembles of molecules, resonator structures, or catalytic plasmonic elements, extend often over hundreds of nanometers. The system of interest, e.g. a reactive molecule, extends merely over a minute fraction of this space. A reasonable approach is therefore to structure such a system, pick the ideal tool for each length-scale, and describe their interaction. For this, we are combining, classical electrodynamics, (embedding) density-functional theory, macroscopic QED, and machine learning potentials.

Starting point for the interested reader: (Schäfer, 2022) (Lindel et al., 2024)