WorkAtmospheric modellingMy main activity at LISA is the development and maintenance of the Generator for Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A). GECKO-A is a modelling tool which (i) generates detailled chemical schemes according to a prescribed protocol assigning reaction pathways and kinetic data and (ii) provide kinetic and thermodynamic properties on the basis of experimental data and structure-activity relationships. The generated schemas typically contain up to several million species and reactions. GECKO-A is the only tool allowing the automatic writing of such schemes. This tool relies on a protocol for identifying reaction pathways, experimental databases, and methods for estimating missing parameters. The development work of this code is carried out by adding new reaction mechanisms, updating the methods of estimation of physicochemical parameters, or updating the databases. Within the framework of the ANR MAGNIFY, the GECKO-A protocol has been updated (taking into account the aromatic structures and their chemistry, implementation of 5 new methods of estimation of kinetic constants with 5 publications from 2018 to 2022). The next step is now to finish cleaning the version and make it available to the community as open source. The mechanisms from GECKO-A are then integrated into a box model. This 0D model allows to simulate the oxidation of organic compounds over time. Within the framework of the SPIM-CO (LEFE) and TREMOLO (IPSL) projects, I worked on its development, in order to be able to simulate urban plumes (preparation and use of meteorological data from regional models as input to the box model, recoding and updating of emission and deposition routines). More informations, list of publications, and an online tool, can be found on the dedicated website. Data treatment and analysisField campaigns and laboratory experiments generate a large amount of data. In this context, one of my activities consists in developing processing codes to (i) rework data (i.e. merging and/or reorganizing them from several sources), (ii) extract information from raw data and (iii) visualize them automatically.
OthersI am involved in the IT department at LISA. |