Feliu Maseras

Feliu Maseras is a Professor and Group Leader at the Institute for Chemical Research of Catalonia (ICIQ-CERCA), where he leads a research group focused on computational chemistry and its application to catalytic processes. His work bridges theoretical modeling and experimental collaboration, particularly in homogeneous catalysis, mechanochemistry, and photocatalysis.

• Education: PhD in Chemistry, Autonomous University of Barcelona (1991)
• Postdoctoral Training: Okazaki, Japan (Prof. Morokuma); Montpellier, France (Prof. Eisenstein)
• Academic Position: Associate Professor, UAB (1998–2004); Group Leader, ICIQ (2004–present)

His research interests center on computational homogeneous catalysis, with a strong emphasis on DFT and QM/MM methods. He investigates cross-coupling, C–H activation, photocatalysis, mechanochemistry, and organic electrosynthesis. A key methodological focus is microkinetic modeling to connect computed energies with experimental kinetics, and the discovery of hidden descriptors using statistical analysis of large DFT datasets.

The recent publications highlight a strong trend in mechanochemistry, photocatalysis, and transition metal catalysis, with increasing integration of artificial intelligence and data-driven methods. Many studies involve close collaboration with experimental groups, validating computational predictions.

Scientific Awards:

• Rafael Usón Medal (2024)
• Miguel Catalán-Paul Sabatier Award (2024)
• Bruker Prize in Physical Chemistry (2011)
• Chemical Society Lecture Award, RSC (2008)

Prof. Maseras has supervised 24 doctoral theses and hosted numerous postdoctoral researchers. His group is currently supported by grants such as the MECHAPHOTOCOMP project (Ministry of Science) and the Beatriu de Pinós fellowship. He serves as Associate Editor of ACS Catalysis and on the Editorial Advisory Board of Chemical Society Reviews. The research group includes PhD students, postdocs, technicians, and administrative staff, fostering a collaborative and interdisciplinary environment.

Laboratory and Teams: The Maseras Group at ICIQ operates within a state-of-the-art research infrastructure, utilizing high-performance computing and collaborating with experimental teams across Europe. The group actively develops computational tools and models to advance understanding in sustainable synthesis and catalysis.