Polariton-Assisted InterMolecular Interactions

Project Information

PAIMI

Grant agreement ID: 101244222

DOI 10.3030/101244222

EC signature date 24 April 2025

Start date 1 October 2025

End date 30 September 2027

Funded under

• Widening participation and spreading excellence

Total cost No data

EU contribution € 182 743,92

Coordinated by

EOTVOS LORAND TUDOMANYEGYETEM
Hungary

Objective

Polaritonic chemistry is a new field of research bridging chemistry with quantum optics. It has been shown that confining molecules into microscale optical cavities can lead to the formation of polaritons, hybrid light-matter states offering a unique way to design and control chemical processes at the molecular level. The formation of polaritons can influence molecular structure, chemical reactivity and intermolecular interactions, and result in controlling chemical transformations, energy transfer, and internal motions of molecules. In the last five years it has been shown experimentally that polaritons in microfluidic infrared cavities can change the kinetics and thermodynamics of thermally activated chemical reactions. Despite much effort, theory is not yet able to provide a full understanding of these results. In addition to chemical reactions, the spectroscopy of molecular polaritons is also of high interest. The central questions we are looking to find answers to include a) How does the interaction with infrared cavity radiation manifest in the properties of rovibrational states of complex (multi)molecular systems? b) How does resonant light-matter interaction between the cavity modes and the molecules influence the interaction and coupling among the various degrees of freedom in weakly bound molecular complexes? c) What new phenomena can be learned from the collective polaritonic states simulated using realistic molecular models and/or large number of molecules? This project aims to extend the field of (ro)vibrational polaritonic chemistry by (a) delivering high-accuracy theoretical models and related computational tools capable of treating medium sized (floppy) molecular systems in an IR cavity, (b) revealing the characteristic phenomena which occur when weakly bound molecular complexes interact with IR cavity radiation, (c) extending simulations to the collective states of large number of molecules by exploiting massively parallel code implementation.

Fields of science (EuroSciVoc)

CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: https://op.europa.eu/en/web/eu-vocabularies/euroscivoc.

• natural sciences › physical sciences › thermodynamics
• natural sciences › physical sciences › optics › spectroscopy

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Keywords

• polaritonic chemistry
• vibrational strong coupling
• weakly-bound molecular complexes
• massively parallelized
• implementations

Programme(s)

• HORIZON.4.1 - Widening participation and spreading excellence Main Programme

Topic(s)

• HORIZON-WIDERA-2024-TALENTS-02-01 - ERA Fellowships

Call for proposal

HORIZON-WIDERA-2024-TALENTS-02

Funding Scheme

HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships

Coordinator

EOTVOS LORAND TUDOMANYEGYETEM

• Net EU contribution: € 182 743,92
• Address: EGYETEM TER 1-3 ; 1053 Budapest ; Hungary
• Region: Közép-Magyarország › Budapest › Budapest
• Activity type: Higher or Secondary Education Establishments
• Total cost: No data