plasmonX : an Open-Source Code for Nanoplasmonics

We present the first public release of plasmonX, a novel open-source code for simulating the plasmonic response of complex nanostructures. The code supports both fully atomistic and implicit descriptions of nanomaterials. In particular, it employs the frequency-dependent fluctuating charges (aFQ) and dipoles (aFQF mu) models to describe the response properties of atomistic structures, including simple and d-metals, graphene-based structures, and multi-metal nanostructures. For implicit representations, the Boundary Element Method is implemented in both the dielectric polarizable continuum model (DPCM) and integral equation formalism (IEF-PCM) variants. The distribution also includes a post-processing module that enables analysis of electric field-induced properties such as charge density and electric field patterns. PROGRAM SUMMARY Program Title: plasmonX CPC Library link to program files: https://doi.org/10.17632/zcd8fb4457.1 Developer's repository link: https://github.com/plasmonX/plasmonX Licensing provisions: GPLv3 Programming language: Fortran 2008, Python Nature of problem: Simulating the response properties of plasmonic metallic and graphene-based nanomaterials. Solution method: Fully atomistic frequency-dependent fluctuating charges (aFQ) [1,2] and dipoles (aFQF mu) [3] models and implicit, non-atomistic Boundary Element Methods (BEM) [4]. The approaches are implemented within the quasistatic approximation. Additional comments including restrictions and unusual features: The program has been mainly tested by using gfortran (versions 9-13) combined with the Math Kernel Library (MKL) provided by Intel.