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Non-Equilibrium Field Theory of Molecular Rotations

Project description

A new approach in the study of molecular rotations

Unlike electrons or atoms, molecules are extended objects, with a rich internal structure, and can perform rotations. The relative orientation of molecules, which is affected by their environment, largely determines their reactivity. To control molecular reactions, external laser pulses are applied to prepare the reactants in certain rotational states. Funded by the Marie Skłodowska-Curie Actions programme, the NeqMolRot project aims to develop a field-theoretical approach to describe molecules in bosonic and fermionic baths. Starting from diatomic molecules, researchers will extend their study to more complex molecular structures and will use laser pulses of different shape and duration. Project findings will pave the way for modelling the dynamics of molecular systems and composite impurities.

Objective

At the interface between chemistry and physics, in this project we aim to develop a non-equilibrium field-theoretical approach to investigate molecular rotations in the presence of a many-body environment and driving laser fields.
Unlike electrons or atoms, molecules are extended objects, with a rich internal structure and the possibility to perform rotations, in compliance with the non-trivial algebra of quantized angular momentum. A long-standing goal of chemical physics is the control of bimolecular reactions: molecular reactivity strongly depends on the relative orientation of molecules which, in turn, is affected by the surrounding environment. External laser pulses are applied to prepare the reactants in certain rotational states and/or drive them to a specific alignments. Thus, the interplay between external driving and dissipation due to the solvent is crucial for the quantum control of molecular rotations.
In this inherently out-of-equilibrium context we aim to develop a field-theoretical approach to describe molecules in bosonic and fermionic baths. Starting from diatomic molecules, we aim to extend our theory to more complex structures and different shape and duration of the aligning laser pulses. The project aims to pave the way for a highly innovative strategy to model dynamics of molecular systems and composite impurities, based on quantum field theory in its non-equilibrium functional formulation.

Fields of science (EuroSciVoc)

Keywords

Programme(s)

Topic(s)

Funding Scheme

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

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Call for proposal

(opens in new window) HORIZON-MSCA-2021-PF-01

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Coordinator

INSTITUTE OF SCIENCE AND TECHNOLOGY AUSTRIA
Net EU contribution
€ 199 440,96
Address
Am Campus 1
3400 Klosterneuburg
Austria
Region
Ostösterreich Niederösterreich Wiener Umland/Nordteil
Activity type
Higher or Secondary Education Establishments
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Total cost
No data