Traineeship at University of Bordeaux

University of Bordeaux is looking for a Master student willing to work in our theoretical chemistry group in Bordeaux for a 5-months research internship. It is funded by a joint research program with University of Waterloo (Canada) so it means that we can cover part of accommodation and travel expanses (700 euros per months) and complete with Erasmus mobility grant or others. The scientific program is detailed below and please see the paper already published this year related to the project.

If any of your student is interested, please contact me at cedric.crespos@u-bordeaux.fr

The research project aims to overcome the limitations of conventional gas sensing technologies by combining machine learning algorithms with metal oxide-organic thin films synthesis (high-performance metal oxide-organic thin film gas sensors for detecting amines such as ammonia, dimethylamine, and trimethylamine). By exploring various organic thin film materials, we will identify optimal combinations with semiconductor metal oxides to enhance the sensitivity, selectivity, and stability of gas sensors within a combined experimental and computational approach. 

The 6-months internship project will be focused on the theoretical part with electronic structure calculations, making use of quantum chemistry technics and more sepcifically density functional theory (DFT) for large systems. Linear-scaling DFT calculations will be performed with the CONQUEST code. This will allow us to handle large-size chemical systems, including those with defects. The combination of AI algorithms and linear-scaling DFT should provides an efficient and systematic means to navigate the extensive compositional space of multicomponent oxide-based chemiresistors. 

See attached files for previous similar works performed in the theoretical chemistry group of ISM (University of Bordeaux). https://www.u-bordeaux.fr/en