معرفی
Massimo Bocus is a postdoctoral researcher at Ghent University, affiliated with the Catalysis and Chemical Reaction Engineering group. His work focuses on computational chemistry, zeolite catalysis, and machine learning potentials for simulating reaction mechanisms under operando conditions.
Research interests include:
- Mechanistic modeling of zeolite-catalyzed reactions
- Nuclear quantum effects in proton transfer kinetics
- Machine learning-enhanced molecular dynamics simulations
- Biomass conversion pathways (e.g., guaiacol demethylation)
- Water-zeolite synergy in catalytic systems
Publications highlight his contributions to methanol-to-hydrocarbons conversion, lignin valorization, and rare event sampling techniques. He has presented at international conferences like Nanoinnovation (2024) and the International Zeolite Conference (2025).
Key methodologies involve first-principles simulations, Bayesian optimization, and operando modeling to bridge theoretical and experimental insights in catalysis.
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