HPC Software for Massively Parallel Simulation of 3D Electromagnetic Nano-structures

Advanced research in photonic materials has shown that rapid breakthroughs in device applications go hand-in-hand with the development of efficient, computationally powerful software tools. Thus, high fabrication costs of complex photonic nano-structures and devices make it imperative to have access to computational tools based on efficient algorithms, which can greatly reduce the design-fabrication-testing cycle. In this context, computational techniques based on the multiple-scattering formalism have become a primary means to model a variety of scientific and engineering problems related to the electromagnetic wave interaction with arbitrary distributions of particles and materials. In this work, we have extended OPTIMET (OPTIcal METa-materials) code, which is based on the 2D multiple scattering matrix method, to allow for the analysis of electromagnetic wave interaction with large ensembles of 3D microand nanoparticles that are periodically or arbitrarily distributed in an otherwise homogeneous background. The newly developed software, OPTIMET-3D, has the following additional functionalities, which dramatically enhance its computational capabilities: (i) The extension of the code capability to 3D photonic structures, (ii) The capability to model non-linear (second-order) optical respons of ensembles of particles, (iii) The capability to describe efficiently periodically distributed electromagnetic scatterers, (iv) The design and development of the software so as to render it suitable to run efficiently on parallel HPC systems. Table of