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

SNIC 2019/3-247

Type:

SNIC Medium Compute

Principal Investigator:

Timur Shegai

Affiliation:

Chalmers tekniska högskola

Start Date:

2019-05-01

End Date:

2019-11-01

Primary Classification:

10302: Atom and Molecular Physics and Optics

Webpage:

Allocation

Abstract

This project is focused on light-matter interactions revealed by collective plasmon resonances and molecular excitations, and in particular, by their strong coupling. Strong light-matter interactions in both 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 (1) to gain first-principles insight in strong light-matter coupling on the nanoscale and (2) to develop optimal systems and materials for future applications. This project is a continuation of our previous SNIC project on the topic. The first results obtained in the previous SNIC project are currently under review (a preprint is available at https://arxiv.org/abs/1904.02097), and the requested computational resources would enable the continuation of the research.