Abstract
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. Representative ice structures will be constructed, and we will calculate binding energies of astrochemically relevant molecules on these structures. We will also compute free energy profiles and rate coefficients for a paradigmatic set of reactions. In collaboration with leading experts in the field, the project 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.
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