Hybrid electron-boson systems out of equilibrium (QED-TDDFT)
Päärahoittaja
Rahoittajan antama koodi/diaarinumero: 308697
Päärahoittajan myöntämä tuki (€)
- 236 750,00
Rahoitusohjelma
Hankkeen aikataulu
Hankkeen aloituspäivämäärä: 01.09.2017
Hankkeen päättymispäivämäärä: 31.08.2020
Tiivistelmä
Very recently, it has become possible to alter properties of complex molecules by simply placing them between two mirrors. Even in the absence of external light, the coupling of the molecules to vacuum fields (a pure quantum effect) can change the chemical properties completely.
At present, it is theoretically difficult to describe such systems without fitting parameters to experimental data. The end goal of my project is to develop a parameter-free approach, which can treat large, realistic electronic systems interacting with bosons – such as light - on a quantum level.
Having the ability to calculate properties of such systems from first principles, we could go from explaining the experiments to actually predict what future experiments will show. Ideally, we could then predict properties of new materials not yet synthesized and thereby open the way to new realms of materials science.
At present, it is theoretically difficult to describe such systems without fitting parameters to experimental data. The end goal of my project is to develop a parameter-free approach, which can treat large, realistic electronic systems interacting with bosons – such as light - on a quantum level.
Having the ability to calculate properties of such systems from first principles, we could go from explaining the experiments to actually predict what future experiments will show. Ideally, we could then predict properties of new materials not yet synthesized and thereby open the way to new realms of materials science.
Vastuullinen johtaja
Päävastuullinen yksikkö
Liittyvät julkaisut
- Fast Green’s Function Method for Ultrafast Electron-Boson Dynamics (2021) Karlsson, Daniel; et al.; A1; OA
- Diagrammatic Expansion for Positive Spectral Functions in the Steady-State Limit (2019) Hyrkäs, Markku; et al.; A1; OA
- The generalized Kadanoff-Baym ansatz with initial correlations (2018) Karlsson, Daniel; et al.; A1; OA
