English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

The fully atomistic modeling of real-size plasmonic nanostructures iscomputationally demanding, therefore most calculations are limited tosmall-to-medium sized systems. However, plasmonic properties strongly depend onthe actual shape and size of the samples. In this paper we substantially extendthe applicability of classical, fully atomistic approaches by exploitingstate-of-the-art numerical iterative Krylov-based techniques. In particular, wefocus on the recently developed $\omega$FQ model, when specified to carbonnanotubes, graphene-based nanostructures and metal nanoparticles. Theperformance of Generalized Minimal Residual (GMRES) and Quasi-Minimum Residual(QMR) algorithms is studied, with special emphasis on the dependence of theconvergence rate on the dimension of the structures (up to 1 million atoms) andthe physical parameters entering the definition of the atomistic approach.

Fully Atomistic Modeling of Realistic Plasmonic Materials: Assessing the Performance of Iterative Solvers