Offre de thèse : Modélisation de spectres infrarouges de molécules cométaires

Date limite pour candidater : 18 septembre 2022

Sujet  : Modélisation de spectres infrarouges de molécules cométaires.

Institut UTINAM, Equipe SPACE / Laboratoire Interdisciplinaire Carnot de Bourgogne, équipe SMPCA

Direction de thèse  : Philippe Rousselot (UTINAM) / Vincent Boudon (ICB)

Thèse financée pour 3 ans par l’EUR EIPHI avec un début de thèse en octobre 2022 (projet COSMIC)

Sujet  :
The chemical composition of comets is an important tool for a good understanding of solar system formation. Thanks to the Rosetta spacecraft and its in situ observations by mass spectroscopy of the comet 67P/Churyumov-Gerasimenko new chemical species in comets have been detected. The objective of this PhD is to use these results to provide the molecular data necessary for detect some of these species in other comets with ground-based facilities. Such molecular data will permit a good modeling of the infrared spectrum of these species and, consequently, will open the possibility of detecting them with the present and future generations of near-infrared spectrometers (such as CRIRES+ at the 8-m Very Large Telescope or future instruments on the 39-m Extremely Large Telescope).
The PhD student will develop algorithms and codes adapted for large amplitude motions (for internal rotators such as -CH3, -NH2, -OH, -SH). Some computations in quantum chemistry will permit to predict the wavelengths as well as intensities in absorption and emission necessary to the detection of these species. This work will be peformed in collaboration with experimentalists (AILES line of Synchrotron SOLEIL).
If it appears that some species could be observed the student will also participate to some analysis of archive data available with 8-m class telescopes of proposals for instruments like CRIRES+.

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