Latest News
- 2018-September-16
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...
- 2018-August-1
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 (
- 2018-July-5
Building strong ties with Prof. Bill Poirier
On June 27, 2018, Prof. Bill Poirier (Texas Tech University, Lubbock, TX), a previous visitor to the KKRK group, received a two-year supplement for his existing NSF CHE 1665370 grant, entitled Massively Parallel Quantum Dynamics: Computing many accurate quantum states for real molecular applications. The supplement is aimed at establishing a strong collaboration between Poirier, Jonathan Tennyson (UCL, London), and Attila G. Császár and the KKRK team. The joint effort is directed toward enabling algorithmic improvements, joint code development and outreach activities, and the significant extension of the computational quantum...
- 2018-July-4
KKRK lecture at COST Traning School
A member of KKRK was invited to give a lecture at the COST Training School "Bridging experiment and theory in precision spectroscopy" held in Toruń (Poland) between the 26th and 30th of June 2018. The topic of the lecture was the theoretical description and computation of metastable quantum states (also called quasibound or resonance states), which play a fundamental role in a large variety of chemical and physical processes. ...
- 2018-July-1
A "Hot" and "Highly Cited" KKRK paper
A research article co-authored by two members of KKRK has been recognized in the Web of Science core collection both as a "Hot Paper" and a "Highly Cited Paper" (a hot paper represents a top 0.1% paper in the research field). The article titled "The HITRAN2016 molecular spectroscopic database" describes the contents of the 2016 edition of the canonical HITRAN molecular spectroscopic information system, which is one of the most popular and widely used databases of the scientific and engineering...