Title:	Quantum simulation of molecule-surface interactions and plasmonic excitations
DNr:	SNIC 2014/1-126
Project Type:	SNIC Medium Compute
Principal Investigator:	Shiwu Gao <shiwu.gao@physics.gu.se>
Affiliation:	Göteborgs universitet
Duration:	2014-04-01 – 2015-04-01
Classification:	10304
Homepage:	http://physics.gu.se/~tfysg
Keywords:

Abstract

This medium project involves research activities of two research groups headed by Prof. Shiwu Gao and the affiliated Prof. Mats Persson in the Materials and Surface Theory group of Applied Physics at Chalmers University of Technology. Electronic structure, geometry and electronic excitation, in particular, plasmonic excitations at solid surfaces and in nanostructures are the main focuses of this project. Molecule at surfaces and surface plasmons play important roles in many dynamical processes at surfaces including sensing, photovoltaics, solar cells, photocatalysis, and optoelectronic devices. First-principles density functional theory (TDDFT) will be combined with a semiclassical theory of plasmon-electron coupling will be applied to description of these processes in order to gain insight into nanoscale light-matter interaction, plasmon induced electron and energy transfer processes.