Simone Raugei

Simone Raugei is a Research Professor at Washington State University (WSU), holding a joint appointment with the Pacific Northwest National Laboratory (PNNL). He is affiliated with the Institute of Biological Chemistry (IBC) within the College of Agricultural, Human, and Natural Resource Sciences (CAHNRS). His research focuses on computational catalysis, energy storage, and bio-inspired catalyst design.

Education: Ph.D. in Chemistry from the University of Florence (2000).

Research Interests: His work integrates computational methods (e.g., DFT, ab initio molecular dynamics) with experimental programs to study catalytic processes in enzymes and synthetic systems. Key areas include:

• Enzymatic catalysis of H₂, CO₂, and N₂ activation
• Molecular electrocatalysis for proton transfer and hydrogen production/oxidation
• Mechanistic studies of nitrogenase and methyl-coenzyme M reductase
• Design of transition-metal-based electrocatalysts

Recent Contributions: Recent work highlights advances in Ni-based electrocatalysts, Fe-S cluster redox properties, and structural dynamics of nitrogenase complexes. His interdisciplinary collaborations span experimental/theoretical teams at PNNL, Yale, and UW.

Awards: None explicitly listed in provided texts.

Grants & Advising: No specific grants or advisee names mentioned in the provided data.

Labs/Teams: Active in WSU-PNNL joint research programs focused on computational catalysis and bio-inspired materials.