Two promising PhD graduates from the University of Groningen will be able to conduct research at top institutes abroad for two years thanks to the Rubicon...

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Information on the Zernike institute for Advanced Materials Top Master Programme in Nanoscience.

Peptide hydrogels are naturally inspired soft materials which, due to their biocompatibility, are potential candidates for controlled drug delivery ma…

Delocalized excitations, denoted excitons, play an important role in many systems in chemical physics. The characterization of their extent of delocalization is

The initial stages of photosynthesis in light-harvesting antennae, driven by excitonic energy transport, have inspired the design of artificial light-harvesting complexes. Double-walled nanotubes (DWN...

Numerous linear and non-linear spectroscopic techniques have been developed to elucidate structural and functional information of complex systems ranging from n

For almost 100 years molecular aggregates have attracted considerable scientific attention, because their electronically excited states feature interesting coll

Self-assembling amphiphilic cyanine dyes, such as C8S3, are promising candidates for energy storage and optoelectronic applications due to their efficient energ

We present the implementation of the time-domain multichromophoric fluorescence resonant energy transfer (TC-MCFRET) approach in the numerical integration of the Schrödinger equation (NISE) program. This method enables the efficient simulation of incoherent energy transfer between distinct segments within large and complex molecular systems, such as photosynthetic complexes. Our approach incorporates a segmentation protocol to divide these systems into manageable components and a modified thermal correction to ensure detailed balance. The implementation allows us to calculate the energy transfer rate in the NISE program systematically and easily. To validate our method, we applied it to a range of test cases, including parallel linear aggregates and biologically relevant systems like the B850 rings from LH2 and the Fenna-Matthews-Olson complex. Our results show excellent agreement with previous studies, demonstrating the accuracy and efficiency of our TD-MCFRET method. We anticipate that this approach will be widely applicable to the calculation of energy transfer rates in other large molecular systems and will pave the way for future simulations of multidimensional electronic spectra.

Advent calendar - December 11th - Mónica K. Espinoza Cangahuala