A Digital Twin for a Chiral Sensing Platform

Abstract

AbstractNanophotonic concepts can improve measurement techniques by enhancing and tailoring the light–matter interaction. However, the optical response of devices that implement such techniques can be intricate, depending on the sample under investigation. Nanophotonics is therefore a ripe field for applying the concept of a digital twin: a digital representation of an entire real‐world device. In this work, the concept of a digital twin is detailed with the example of a nanophotonically enhanced chiral sensing platform. In that platform, helicity‐preserving cavities enhance the interaction between chiral molecules and light, allowing faster measurement of the circular dichroism of the molecules. The sheer presence of the molecules affects the cavity's functionality, demanding a holistic treatment to understand the device's performance. In the digital twin, optical and quantum chemistry simulations are fused to provide a comprehensive description of the system and predict the circular dichroism spectrum. Performing simulations in lockstep with the experiment will allow a clear interpretation of measurement results. This work also demonstrates how to design a cavity‐enhanced circular dichroism spectrometer by utilizing the digital twin. The digital twin can be used to guide experiments and analyze results, and its underlying concept can be translated to many other optical experiments.