Research team

Javier received his B.Sc. in Chemistry from the University of Havana (Cuba) in 2022. He is currently a PhD student at ChimieParistech - PSL University. His research is focused on combining machine learning methods and density functional theory calculations to accelerate the exploration and analysis of chemical reactivity.

Bowen received his M.Sc. in Materials and chemical engineering from Guangxi University (China) in 2023. Since early 2024, he is a PhD student at ChimieParistech - PSL University. His research is focused on building innovative deep learning network architectures for rapid thermodynamic and kinetic screening of reaction pathways in chemical reaction networks.

Maxime received his Ph.D in Theoretical Chemistry and Computational Modelling from the Autonomous University in Madrid in 2024. Currently a Postdoctoral researcher, his expertise lies in chemical reactivity, with a focus on systems able to capture carbon dioxide. His work integrates deep learning to automate and accelerate the exploration of the chemical reaction space.

Basile obtained his M.Sc. in Molecular Chemistry from ENS-PSL University in 2024. He joined ChimieParistech for his Master internship, which was focused on the use of machine learning to accelerate the development of metal complexes with anti-cancer applications. Subsequently, he started a PhD, in co-supervision with Gilles Gasser and Kevin Cariou, on the same topic.

Guanming obtained his M.Sc. in Systems Engineering from Beihang University and his engineering title from Ecole Centrale de Pékin in 2024. Since Nov. 2024, he is a PhD student at ChimieParistech - PSL University. His research focuses on molecular property prediction. More specifically, he explores the roughness of the molecular property landscape and its impact on predictive performance.