T-HeCat

Project description

The Theoretical Heterogeneous Catalysis group of the ICIQ is dedicated to the application of methods of solid-state physics, statistical thermodynamics and simulation models based on the theory of functional to obtain, analyze and improve the properties of catalytic materials.

The group has extensive experience in high quality research, has collaborated with companies at European level (Bayer Materials Science, TOTAL Energies) and has been recognized with an ERC-Starting Grant (IP) and an ERC-PoC (IP). In the last 5 years the group has participates in 5 collaborative European projects (H2020) and a new one will start in October. In the last 2 years we have incorporated Machine Learning techniques into different aspects of reactivity, kinetics and smart characterization.

Convocatòria 2021 dels ajuts per donar suport a l’activitat científica dels grups de recerca de Catalunya (SGR-Cat 2021). Referència: 2021 SGR 01155