SUPR
Computational modeling of plasmons, molecular excitations, and their coupling
Dnr:

NAISS 2024/23-183

Type:

NAISS Small Storage

Principal Investigator:

Jakub Fojt

Affiliation:

Chalmers tekniska högskola

Start Date:

2024-04-01

End Date:

2025-04-01

Primary Classification:

10302: Atom and Molecular Physics and Optics

Webpage:

Allocation

Abstract

This project focuses on light-matter interactions revealed by collective plasmon resonances and molecular excitations, and in particular, their strong coupling.Strong light-matter interactions in both in the single-excitation and coupled regimes are attracting significant attention due to their potential use in emerging quantum and nonlinear optics applications, as well as by the possibilities for modifying material-related properties in strongly-coupled systems. An accurate theoretical description of such systems at the intersection of quantum optics and quantum chemistry is challenging. In this project we will utilize time-dependent density-functional theory to (1) gain first-principles insight in plasmonic processes and strong light-matter coupling on the nanoscale and to (2) develop optimal systems and materials for future applications. This storage project is a complement to our compute project that we have applied to renew (NAISS 2024/5-103). Previous projects have resulted in several publications (most recently ACS Nano https://pubs.acs.org/doi/10.1021/acsnano.3c11418, NanoLetters https://doi.org/10.1021/acs.nanolett.2c02327). Additionally, during the past two years this project has supported the publication of two Licentiate theses (https://research.chalmers.se/en/publication/535761, https://research.chalmers.se/publication/529167). The requested computational resources would enable the continuation of the research on this topic.