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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... ver más

31/12/2025

UAB

2M€

Presupuesto del proyecto: 2M€

Líder del proyecto

UNIVERSITAT AUTÒNOMA DE BARCELONA No se ha especificado una descripción o un objeto social para esta compañía.

Total investigadores 1266

Ver 2 Participantes

Financiación concedida El organismo H2020 notifico la concesión del proyecto el día 2020-02-24

ERC-2019-COG: ERC Consolidator Grant

I+D

Cerrada hace 5 años

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2 Participantes

UAB

1.89M€ | Lider

GRUP BAUCELLS ALIMENTACIO

561.60K€ | Participante

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Duración del proyecto: 70 meses Fecha Inicio: 2020-02-24
Fecha Fin: 2025-12-31

Líder del proyecto

UNIVERSITAT AUTÒNOMA DE BARCELONA No se ha especificado una descripción o un objeto social para esta compañía.

Total investigadores 1266

Presupuesto del proyecto 2M€

Descripción del proyecto 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.

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