6 papers
Mode-Selective and Anharmonicity-Controlled Energy Transport in Cavity-Coupled Water
Sachith Wickramasinghe, Michael Fowler, Gerrit Groenhof +1
Recent experiments demonstrate the modification of chemical dynamics via cavity-enhanced vibrational energy transport. Here, we provide a microscopic account of both photonic and m…
Toward Reliable Spectroscopic Analysis of Reaction Kinetics in Polaritonic Chemistry
Robrecht M. A. Vergauwe, J. Jussi Toppari, Gerrit Groenhof
Recent reports suggest that chemical reaction rates can change when reactants are placed inside an optical cavity. These effects have been attributed to the hybridization of molecu…
Benchmarking mixed quantum-classical dynamics for collective electronic strong coupling
Arun Kumar Kanakati, Oriol Vendrell, Gerrit Groenhof
Experiments indicate that collective coupling of molecular ensembles to confined optical modes can modify excited-state dynamics and photochemical reactivity. To describe such cavi…
Incorporating QM/MM molecular dynamics into the few-mode quantization approach for light-matter interactions in nanophotonic structures
Ruth H. Tichauer, Maksim Lednev, Gerrit Groenhof +1
In the context of light-matter interactions between organic chromophores and confined photons of (plasmonic) nano-resonators, we introduce a general framework that couples ab initi…
Disentangling enhanced diffusion and ballistic motion of excitons coupled to Bloch surface waves with molecular dynamics simulations
Ilia Sokolovskii, Yunyi Luo, Gerrit Groenhof
Placing an organic material on top of a Bragg mirror can significantly enhance exciton transport. Such enhancement has been attributed to strong coupling between the evanescent Blo…
Quantum dynamics simulation of exciton-polariton transport
Niclas Krupp, Gerrit Groenhof, Oriol Vendrell
Strong coupling between excitons and confined modes of light presents a promising pathway to tunable and enhanced energy transport in organic materials. By forming hybrid light-mat…