4 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…