Project description
Formulating a theoretical framework to calculate molecular polaritonic response properties
Molecular polaritonics is an emerging field of research with potential applications in manipulating chemical processes and regulating energy transfer. Polaritons – coupled systems of molecules and resonant electromagnetic fields in quantum cavities – possess unique properties, enabling non-invasive influence over molecular systems. While calculating the potential energy surfaces of polaritons is possible, the description of other properties remains a challenge. With the support of the Marie Skłodowska-Curie Actions programme, the QEDControl project will formulate theories and develop techniques for calculating polaritonic response properties in quantum cavities. Leveraging theoretical molecular physics, high-performance software development and applied computational chemistry methods, it aims to establish a theoretical framework and software tools that will enable the future design of chemical processes in quantum cavities.
Objective
Introducing molecules into quantum cavities to enhance selected physical properties or to control chemical processes is a highly active domain of research. The coupled system of molecules and the resonant electromagnetic field, called a molecular polariton, have properties very different from those of free molecules, providing a possibility of non-invasively influencing molecular systems on a quantum level. Developments in experimental techniques and electronic structure methods continuously open up new possibilities of tuning polaritons for specific applications. The description of molecules in quantum cavities requires models deeply rooted in quantum electrodynamics and necessitates novel perspectives in wavefunction-based methods. Although it is now possible to calculate the potential energy surfaces of polaritons, the description of other properties, especially response functions, is an open challenge.
In this project, we aim to develop theories and methods for the calculation of polaritonic response properties in quantum cavities, with the goal to understand the possibilities of quantum control of intra- and intermolecular processes. Our developments are expected to provide experimental and fundamental research with a theoretical framework and software implementations for the future design of chemical processes in quantum cavities. Achieving this result will rely on an interdisciplinary work between theoretical molecular physics, high-performance software development, as well as applied computational chemistry methods. This synergy between electronic structure theory expertise of the Host with the background in response function theory of the Applicant will also be supported by a larger effort at the Saarland University to utilize quantum cavities in molecular science. Overall, the successful project will give a theoretical background for planning polaritonic devices for tailored applications by a non-invasive altering physical and chemical properties.
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: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
- natural sciences physical sciences condensed matter physics quasiparticles
- natural sciences computer and information sciences software
- social sciences other social sciences development studies development theories
You need to log in or register to use this function
Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
-
HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA)
MAIN PROGRAMME
See all projects funded under this programme
Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships
See all projects funded under this funding scheme
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) HORIZON-MSCA-2024-PF-01
See all projects funded under this callCoordinator
Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.
66123 Saarbrucken
Germany
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.