51 citations · 51 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2024
Functionality Optimization for Singlet Fission Rate Screening in the Full-Dimensional Molecular and Intermolecular Coordinate Space
Johannes Greiner, Anurag Singh, Merle I. S. Röhr
In computational chemistry, accurately predicting molecular configurations that exhibit specific properties remains a critical challenge. Its intricacies become especially evident…
physics.chem-ph2014★ 51 cited
Site-dependence of van der Waals interaction explains exciton spectra of double-walled tubular J-aggregates
Jörg Megow, Merle I. S. Röhr, Marcel Schmidt am Busch +5
The simulation of the optical properties of supramolecular aggregates requires the development of methods, which are able to treat a large number of coupled chromophores interactin…