A Hybrid EM/QM Framework Based on the ADHIE-FDTD Method for the Modeling of Nanowires (Dries VandeGinste, Ghent)

A new modeling formalism to compute the time-dependent behavior of combined electromagnetic (EM) and quantum mechanical (QM) systems is proposed. 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. Speaker(s): Dries VandeGinste, Virtual: https://events.vtools.ieee.org/m/362736