Laboratory Astrophysics and Atmospheric Data

Team

M.L. Dubernet (Astronomer, Obs. de Paris), C. M. Zwölf* (Engineer, Obs. de Paris), N. Moreau* (Engineer, Obs. de Paris), Y.A. Ba* (Engineer, Obs.de Paris), participation of C. Boursier (MCF SU),
* on data and open science

Expertise and/or activities on data and open science

• interoperable access to many atomic and molecular databases through the "VAMDC Consortium" with maintenance of key components of the VAMDC infrastructure. The VAMDC e-infrastructure inter-connects about 41 atomic and molecular databases and is accessible from the portal. Application to astrophysics, astrochemistry, planetology, earth atmosphere, plasmas
• collisional data collected in the BASECOL database- application interstellar medium, cometary atmospheres and molecular physics
• leadership and participation to Laboratory Astrophysics Data Working Groupat the International Astronomical Union
• participation to activities of the Research Data Alliance
• participation to activities on french open science

Research

• calculations of rate coefficients for the collisional excitation of molecules by atoms and molecules : quantum and semi-classical methods. Application to the interstellar medium and to cometary atmospheres
• calculations of line broadening and shifting parameters of molecular lines : quantum and semi-classical methods. Application to planetary and earth atmospheres
• determination of potential energy surfaces by ab initio quantum methods

Key References

• C. Boursier, B. Mandal, D. Babikov, M.L. Dubernet, New H2O-H2O collisional rate coefficients for cometary applications, MNRAS, 2020, 498, 5489-5497; DOI
• M.L. Dubernet, E. Quintas-Sanchez, First quantum study of the rotational excitation of HCN by para-H2O: convergence of quantum results, influence of the potential energy surface, and approximate rate coefficients of interest for cometary atmospheres, Mol. Astrophysics, 2019, 16, 100046; DOI
• E. Quintas-Sanchez, M.L. Dubernet,Theoretical study of HCN-water interaction: five dimensional potential energy surfaces, PCCP, 2017, 19, 6849 - 6860; DOI
• F. Daniel, M.L. Dubernet, A. Grosjean, Rotational excitation of 45 levels of ortho/para-H2O by excited ortho/para-H2 from 5K to 1500K: state-to-state, effective, and thermalized rate coefficients, A&A, 2011, 536 p A76+; DOI
• A. Damien, B.K. Antony, Y.A. Ba, et al., A decade with VAMDC : Results and Ambitions, Atoms, 2020, vol. 8, number 4, article 76 ; DOI
• Y.A. Ba, M.L. Dubernet, N. Moreau, C.M. Zwölf , BASECOL2020 (basecol.vamdc.org) New Technical Design, Atoms, 2020, vol. 8, number 4, article 69 ; DOI
• C.M. Zwölf, N. Moreau, Y.A. Ba, M.L. Dubernet, Implementing in the VAMDC the New Paradigms for Data Citation from the Research Data Alliance, Data Science Journal, 2019, 18(1), p.4; DOI
• N. Moreau, C.M. Zwölf, Y.A. Ba, C. Richard, V. Boudon, M.L. Dubernet, The VAMDC Portal as a major enabler of atomic and molecular data citation, Galaxies, 2018, 6(4), 105; DOI
• M.L. Dubernet et al., The Virtual Atomic and Molecular Data Centre (VAMDC) Consortium, J. Opt. Phys. B, 2016, 49, 074003; DOI