Publication highlighted by Editors
Publication in the Journal of Physical Chemistry Letters (JPCL)
As a result of a joint research project between KKRK and scientists at the University of Debrecen, a paper titled "Conical intersections induced by quantum light: field-dressed spectra from the weak to the ultrastrong coupling regimes" was published in the prestigious journal of JPCL. The published article contains the theoretical framework for computing the absorption and stimulated emission spectrum of molecules dressed by the quantized radiation field of a microscopic cavity. ...
Publication among top 10 most read papers of JPCRD
A research article co-authored by members of KKRK is among the top 10 most read papers of The Journal of Physical Chemistry Reference Data in 2018. The paper demonstrates state-of-the-art determination of thermochemical functions for heavy water and its substituent isotopologues. The accurate data published can be used to predict the gas-phase thermodynamic properties of heavy water at very low, or elevated temperatures. ...
Invited talk at CESTC2018
A member of KKRK was invited to give a talk at the 16th Central European Symposium on Theoretical Chemistry (CESTC2018) held in Srni (Czeck Republic) between the 9th and 12th of September 2018. The topic of the lecture was the theoretical description and computation of the rovibronic spectrum of so-called light-dressed molecules, which are formed when molecules interact with long laser pulses or the radiation field of microscopic optical or plasmonic cavities. Investigating the spectrum of light-dressed molecules reveals much of the physical nature of these systems...
The first application of quantum graphs to molecular vibrations
Two members of KKRK (Csaba Fábri and Attila G. Császár) have published a Communication titled Vibrational quantum graphs and their application to the quantum dynamics of CH5+ in Physical Chemistry Chemical Physics. The paper describes the very first application of the quantum-graph model to the vibrational quantum dynamics of molecules and demonstrates that the simple and intuitive quantum-graph model is able to decipher the complex and unique vibrational quantum dynamics of CH5+. Csaba Fábri presented a poster (AMOC 2018), an invited talk (