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Simulation and Theory of Astrochemical Reactions on Surfaces

Project description

Profiling interstellar gas-icy dust reactions and their products

Which molecules exist in interstellar space and how they are formed are questions of fundamental importance to understanding the origins and evolution of the universe and life in it. Over 300 molecules have been identified so far, from simple gases to complex organic molecules. Interactions between interstellar gas and icy dust particles likely played critical roles in their formation. With the support of the Marie Skłodowska-Curie Actions programme, the STARS project aims to leverage advanced computational techniques to model potential reactions and then compare the resulting abundance of gas phase products to experimental data. To enable this, STARS will determine key energetic parameters of such reactions based on relevant molecules in ice structures.

Objective

"Over 300 molecules have been identified in interstellar space, ranging from simple H2 to complex organic molecules such as ethanolamine. In the extreme conditions of interstellar space, gas-phase reactions alone cannot explain their formation, and ice-covered dust particles are believed to play a crucial role. However, little is known about the precise mechanisms of interaction between interstellar gas and icy dust particles, or how these ice surfaces might ""catalyze"" the necessary chemical reactions. In particular, the effect of charge remains poorly understood. The STARS project aims to establish a new framework to investigate these interactions on both neutral and charged ice particles using state-of-the-art computational techniques. I will construct representative ice structures, calculate binding energies of astrochemically relevant molecules, and compute free energy profiles and rate coefficients for a paradigmatic set of reactions. In collaboration with leading experts in the field, I will also assess the impact of these interactions on resulting gas-phase abundances, enabling accurate benchmarking against experimental data. This interdisciplinary project bridges astrochemistry and surface science, with the potential to deepen our understanding of how interstellar icy dust particles drive the chemical evolution of the universe. To achieve the objectives of the STARS project, I will conduct my research at the University of Antwerp’s Chemistry Department under the supervision of Prof. Neyts, a leading expert in molecular simulations. This project will also strengthen my academic profile, preparing me for advanced funding opportunities and enabling me to establish my own research group."

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-2024-PF-01

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Coordinator

UNIVERSITEIT ANTWERPEN
Net EU contribution
€ 216 240,00
Address
PRINSSTRAAT 13
2000 Antwerpen
Belgium
Region
Vlaams Gewest Prov. Antwerpen Arr. Antwerpen
Activity type
Higher or Secondary Education Establishments
Links
Total cost
No data