This seminar is based on the paper “A Hybrid EM/QM Framework Based on the ADHIE-FDTD Method for the Modeling of Nanowires“, IEEE J-MMCT, vol. 7, 2022, pp. 236-251, coauthored by Pieter Decleer and Dries Vande Ginste. The paper won the Best Paper Award for papers published in IEEE J-MMCT in years 2021-2022.
In the seminar a new modeling formalism to compute the time-dependent behavior of combined electromagnetic (EM) and quantum mechanical (QM) systems is explained. The method is geared towards highly multiscale geometries, which is vital for the future design of nanoelectronic devices. The validity of the proposed formalism is thoroughly discussed and its applicability is proven through several numerical experiments, including a single-particle Maxwell-Schrödinger (MS) system as well as a many-particle Maxwell-Kohn-Sham (MKS) system. These experiments confirm that the novel method drastically decreases the computation time while retaining the accuracy, leading to efficient and accurate simulations of light-matter interactions in multiscale nanoelectronic devices.