Applications are invited for a post-doctoral position in the area of theoretical spectroscopy at Chalmers University of Technology in Gothenburg. The position will be co-hostred at the Department of Applied Physics and the Department of Microtechnology and Nanoscience (MC2).Funding is available for up to two years (1+1 year).Project descriptionOptical absorption is a key element in all solar harvesting technologies. Solar spectrum match and charge transfer are of paramount importance for the efficiency of a broad range of solar energy technologies such as photovoltaics, solar thermal systems and photo-catalytic reactions such as artificial photosynthesis and photo-induced water splitting.The present project addresses the prediction of optical properties of molecular switches at surfacesfrom first-principles calculations. The goal is initially to interpret and understand the experimentalspectra and eventually to suggest molecular structures with optimized performance. The project will encompass the application of electronic structure calculations based on density functional theory to model ground and excited state structures as well as the subsequent calculation of excitation and absorption spectra using Green’s function methods. This work will be carried out in close collaboration with experimental groups at Chalmers with extensive experience regarding the synthesis and characterization of the respective molecular systems.
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