Michel Dupuis

Michel Dupuis is a Research Professor in the Department of Chemical and Biological Engineering at the University at Buffalo (UB), affiliated with the Computation and Data-enabled Science and Engineering (CDSE) program, RENEW Institute, and the New York State Center of Excellence in Materials Informatics (CMI). His research focuses on computational design of renewable energy materials, leveraging multi-scale/multi-physics modeling and high-performance computing. Key areas include photocatalytic water oxidation, electrocatalytic hydrogen production, and semiconductor charge dynamics.

Educated at the Ecole Polytechnique (France) and UB (PhD, 1976), Dupuis has held senior roles at Pacific Northwest National Laboratory and IBM. He is a Fellow of the American Physical Society and AAAS, and a member of the International Academy of Quantum Molecular Science. His NWChem software contributes widely to computational chemistry.

• Research Highlights: Design of novel materials for solar fuels, defect engineering in semiconductors, and predictive computational methods.
• Awards: Over 225+ publications (28,000+ citations), prestigious fellowships, and international academy memberships.
• Key Tools: DFT simulations, hybrid density functional theory, and mesoscale modeling frameworks.

His work bridges fundamental theory and applied energy solutions, addressing global challenges in clean energy conversion and storage.