Marcel Swart

Marcel Swart is an ICREA Research Professor at the University of Girona, specializing in Theoretical (Bio)Inorganic Chemistry. He directs the Institute of Computational Chemistry and Catalysis (IQCC) and holds leadership roles in the Quantum BioInorganic Chemistry Society and Spanish Chemical Society's Computational Chemistry Group. His affiliations include editorial duties at Inorganica Chimica Acta and advisory positions for Open Research Europe.

Research focuses on computational modeling of transition-metal systems, spin-state energetics, and reaction mechanisms in catalysis. Key areas include:

• Development of density functionals for bioinorganic systems
• Design of high-valent iron/copper catalysts for C-H activation
• Electronic structure studies of metallofullerenes and nanomaterials

Recent publications emphasize iron/copper-oxo species, PCET mechanisms, and computational method development. Articles show consistent focus on reaction kinetics, ligand design, and validation via spectroscopy/DFT.

Scientific Awards:

• Royal Society of Chemistry Dalton Horizon Prize (2025)
• Fellow of the Royal Society of Chemistry (2015)
• Silver Jubilee Prize, Molecular Graphics Society (2012)
• ICREA Research Professor Award (2009)

Leads collaborative projects including the Amsterdam Modeling Suite and advises on EU research initiatives. Manages computational laboratories at IQCC with focus on method development for catalysis and materials.