Innovating Works

QUANTUMGRAIN

Financiado
Quantum Chemistry on Interstellar Grains
The Universe is molecularly rich, comprising from the simplest molecule (H2), to complex organic molecules (e.g., NH2CHO) and biomolecules (e.g., amino acids). The physical phases involved in a Solar-type planetary system formatio... The Universe is molecularly rich, comprising from the simplest molecule (H2), to complex organic molecules (e.g., NH2CHO) and biomolecules (e.g., amino acids). The physical phases involved in a Solar-type planetary system formation go hand-in-hand with an increase in molecular complexity, which is ultimately connected with the origin of life. Interstellar (IS) grains play a key role in this chemical evolution as they provide surfaces where key chemical reactions occur. The IS grain chemistry is not fully understood yet. Spectroscopic astronomical observations combined with astrochemical modelling and laboratory experiments have dedicated great efforts to this end but they are still severally limited at reproducing, characterizing and, ultimately, understanding truly existing IS surface reactions. The QUANTUMGRAIN project aims to overcome such limitations by adopting a fourth approach: new state-of-the-art quantum chemistry simulations. These simulations will provide unique, unprecedented information at a molecular level (structures, energetics and dynamics) of the physico-chemical processes occurring in IS surface reactions, with the final objective to fully unveil the actual chemistry on IS grains. To achieve this objective QUANTUMGRAIN is based on three pillars: i) construction of realistic atom-based structural models for IS grains to characterize their structural, energetic and spectroscopic features, ii) molecular simulation of crucial on-grain reactions (formation of simple molecules, complex organic molecules and biomolecules) to disentangle the most favourable mechanisms, and iii) assessment of the actual role of IS grains in each reaction (catalyst? concentrator? third body?) to know why their presence is fundamental. My ambition is to have a complete, accurate molecular description of the different elementary physico-chemical steps involved in IS surface reactions, with the ultimate goal to definitely unveil in a comprehensive way the IS grain chemistry. ver más
31/12/2025
UAB
2M€
Duración del proyecto: 70 meses Fecha Inicio: 2020-02-24
Fecha Fin: 2025-12-31

Línea de financiación: concedida

El organismo H2020 notifico la concesión del proyecto el día 2020-02-24
Línea de financiación objetivo El proyecto se financió a través de la siguiente ayuda:
Presupuesto El presupuesto total del proyecto asciende a 2M€
Líder del proyecto
UNIVERSITAT AUTÒNOMA DE BARCELONA No se ha especificado una descripción o un objeto social para esta compañía.
Total investigadores 1266