Catégories :


Organometallic Chemistry and polymerization catalysis

Molecular modeling of nanoporous materials (especially zeolites and metal-organic frameworks), their physicochemical properties and adsorption. Characterization of the molecular mechanisms involved in the flexibility of the structures and the response to external stimuli (temperature, pressure, etc). Data-driven and machine learning approaches to accelerate the discovery of new materials with targeted properties

Supported projects :