Proyecto asignado a través de la Red Española de Supercomputación.

While fossil fuels deplete, the use of biomass as renewable resources of carbon atoms becomes a promising solution to develop a sustainable industry. Bridging the gap between homogeneous and heterogeneous catalysis, this project will study metal–organic frameworks based on zirconia nodes to catalyze the valorization of biomass-derived feedstocks into high-value chemicals and fuels. Understanding the reaction mechanisms at atomic level of detail will help to guide future experiments.