Xantophylls are oxygenated derivatives of carotenes, which play essential roles in photosynthetic light harvesting and photoprotection. Their unique and tunable…
News
First principles model of plants photosystem II
Photosystem II (PSII) of plants is a dynamic supramolecular machine to perform efficient light-harvesting while preventing photodamage. The secrets underlying…
Excitation energies in a polarizable QM/MM machine learning framework
We developed a machine-learning (ML) framework capable of predicting the different environmental contributions to excitation energies of chromophores in a polarizable embedding. …
How good are approximate lineshape theories for multichromophoric systems?
Modeling optical spectra of multichromophoric systems requires capturing the interplay between excitonic and vibronic dynamics. In our latest study, we…
Assessing Linear Response theory for excited state absorption
Excited state absorption is an important nonlinear optical process. Studying this process with quantum chemical methods is fairly complex, as…