Scheda LAIBrary
FINAL
Informazioni generali
LAIBrary: Library of simulated AIB spectra
LAIBrary
Programma
Progetto
R & D
RSN2
RSN3
Attività: In Itinere; Data inizio: 2020; Data fine: 2025
giacomo.mulas giacomo.mulas@inaf.it
Le Bande Aromatiche Infrarosse (AIBs) sono prominenti emissioni interstellari che gli astronomi usano come traccianti per le condizioni fisiche e chimiche in PDRs a tutte le scale. Sono attribuite a idrocarburi policiclici aromatici (PAHs) eccitati da radiazione UV, con il contributo di altre grandi molecole organiche come i fullereni. I loro profili complessi mostrano chiare variazioni, che risultano sia dalla sovrapposizione di numerose specie che dall’anarmonicità vibrazionale. Stiamo costruendo un modello dettagliato dei profili intrinseci, a partire dai dati molecolari e da tools per analizzarli, per costruire una griglia di spettri simulati per l’interpretazione dei dati JWST, che osserverà le AIBs con sensibilità e risoluzione (sia spaziale che spettrale) senza precedenti.
The Aromatic Infrared Bands (AIBs) are prominent interstellar emissions, used by astronomers to trace the physical and chemical conditions of PDRs at all scales. They are attributed to polycyclic aromatic hydrocarbons (PAHs), heated by UV radiation, with the contribution of other large aromatic species as fullerenes. Their complex profiles show clear variations, resulting both from the superposition of many species, and from vibrational anharmonicity. We are developing a detailed model of the intrinsic profiles, starting from the molecular data this requires and tools to analyse them, to build a grid of simulated spectra, to interpret the data from the forthcoming JWST, which will observe AIBs with unprecedented sensitivity and resolution (both spatial and spectral).
Galassie, AGN e loro evoluzione
Struttura ed evoluzione stellare, incluse le fasi finali
Mezzo interstellare, formazione di stelle e sistemi planetari
Tecnologie Informatiche e software
Infrastrutture dallo spazio per l’osservazione dell Universo (utilizzo)
Team Summary
15. Personale INAF coinvolto
Numero di partecipanti INAF al progetto: 1
| Struttura | Nfte | N0 | TI 2024 | TI 2025 | TI 2026 | TD 2024 | TD 2025 | TD 2026 | Nex | Extra |
|---|---|---|---|---|---|---|---|---|---|---|
| O.A. CAGLIARI | 1 | 0 | 0.16 | 0.20 | 0.20 | 0 | 0 | 0 | 0 | 0.00 |
| Totali | 1 | 0 | 0.16 | 0.20 | 0.20 | 0.00 | 0.00 | 0.00 | 0 | 0.00 |
16. Personale Associato INAF coinvolto
Numero di partecipanti Associati INAF: 6
| # | Struttura | TI 2024 | TI 2025 | TI 2026 | TD 2024 | TD 2025 | TD 2026 | Extra |
|---|---|---|---|---|---|---|---|---|
| 1 | CNRS - Institut de Recherche en Astrophysique et Planétologie | 0.00 | 0.00 | 0.00 | 0.30 | 0.30 | 0.30 | 0.00 |
| 2 | CNRS - Laboratoire de Chimie et Physique Quantiques | 0.00 | 0.00 | 0.00 | 0 | 0 | 0 | 0.00 |
| Totali | 0.00 | 0.00 | 0.00 | 0.30 | 0.30 | 0.30 | 0.00 |
Fondi a sostegno
21. Totale fondi a disposizione (dato aggregato, k€)
| Certi 2024 | Certi 2025 | Certi 2026 | Presunti 2024 | Presunti 2025 | Presunti 2026 |
|---|---|---|---|---|---|
| 5.0 | 0.0 | 0 | 0.0 | 0.0 | 0 |
Produzione scientifica e tecnologica
22. Produzione scientifica e tecnologica - Highlights
Informazioni Pubbliche
Astronomy databases; Interstellar dust processes; Interstellar emissions; Interstellar molecules; Molecular physics; Molecular spectroscopy; Molecule destruction; Molecule formation
Giacomo Mulas is one of the main authors of the Theoretical Spectral Database of PAHs, hosted at the Observatory of Cagliari, still maintained by him. He is also the author of the AnharmoniCaOs quantum chemistry code used in this project, as well as of one of the currently leading PAH emission models, the only one that included, at least approximately, anharmonicity. G. Mulas was also involved in the VAMDC project, integrating the Theoretical Spectral Database of PAHs in a federated, distributed e-infrastructure. The VAMDC node of the Observatory of Cagliari is still maintained by G. Mulas. All along a very long a fruitful collaboration with C. Joblin’s group, G. Mulas provided theoretical support for the interpretation of laboratory data. G. Mulas is co-tutor, together with Christine Joblin, of the PhD student Louan de Bentzmann, involved in the project.<br>
ESPOIRS and PIRENEA experimental setups at CNRS-IRAP. SOLEIL synchrotron for UV irradiation experiments of PAHs CINECA and CALMIP HPC facilities for AnharmoniCaOs and molecular dynamics runs Local computers at IRAP and at the INAF-Observatory of Cagliari to host databases
15. Team members, Informazioni generali
15. Personale INAF coinvolto
| # | Nome | Struttura | TI | Qualifica | Ruolo nel Progetto | FTE Impegnate (2024/2025/2026) | FTE Presunte (2024/2025/2026) | Extra | ||
|---|---|---|---|---|---|---|---|---|---|---|
| 1 | giacomo.mulas | giacomo.mulas@inaf.it | O.A. CAGLIARI | Y | RICERCATORE ASTRONOMO | P.I. INAF | X X X | X X X | X |
|
16. Personale Associato INAF coinvolto
| # | Nome | Struttura | TI | Qualifica | Ruolo nel Progetto | FTE Impegnate (2024/2025/2026) | FTE Presunte (2024/2025/2026) | Extra | |
|---|---|---|---|---|---|---|---|---|---|
| 1 | christine.joblin | christine.joblin@irap.omp.eu | CNRS - Institut de Recherche en Astrophysique et Planétologie | Y | Chercheur | P.I. IRAP | [0, 0, 0] | [0.3, 0.3, 0.3] | 0.0 |
| 2 | karine.demyk | karyne.demyk@irap.omp.eu | CNRS - Institut de Recherche en Astrophysique et Planétologie | Y | Chercheur | leading ESPOIRS scientist | [0, 0, 0] | [0.3, 0.3, 0.3] | 0.0 |
| 3 | mathias.rapacioli | mathias.rapacioli@irsamc.ups-tlse.fr | CNRS - Laboratoire de Chimie et Physique Quantiques | Y | Chercheur | MD calculations | [0, 0, 0] | [0.1, 0.1, 0.1] | 0.0 |
| 4 | aude.simon | aude.simon@irsamc.ups-tlse.fr | CNRS - Laboratoire de Chimie et Physique Quantiques | Y | Chercheur | MD calculations | [0, 0, 0] | [0.1, 0.1, 0.1] | 0.0 |
| 5 | dominique.toublanc | dominique.toublanc@univ-tlse3.fr | CNRS - Institut de Recherche en Astrophysique et Planétologie | Y | Chercheur | Development of emission model | [0, 0, 0] | [0.25, 0.25, 0.25] | 0.0 |
| 6 | louan.debentzmann | louan.de-bentzmann@irap.omp.eu | CNRS - Institut de Recherche en Astrophysique et Planétologie | N | PhD student | Developer of interface between DBs and PAH emission model, web interface, data analysis tools | [0.3, 0.3, 0.3] | [0.2, 0.2, 0.2] | -1.0 |
21. Fondi a Sostegno Iniziativa
This project is entirely funded by external collaborations. The dedicated experimental setups involved were funded by the NANOCOSMOS EU FP7 project. Some personnel was hired on funds granted by CNES.
Tabella fondi:
| # | Provenienza | Certi 2024 (k€) | Certi 2025 (k€) | Certi 2026 (k€) | Presun. 2024 (k€) | Presun. 2025 (k€) | Presun. 2026 (k€) | Totale Certi (k€) | Totale Presunti (k€) |
|---|---|---|---|---|---|---|---|---|---|
| 1 | INAF mini grant | 5 | 0 | None | 0 | 0 | None | 5 | 0 |
Tabella fondi Astrofisica Fondamentale e PNRR:
| # | Provenienza | Fondi 2024 (€) | Fondi 2025 (€) | Fondi 2026 (€) |
|---|