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De-en Jiang

Professor of Chemical and Biomolecular Engineering
Professor of Chemistry

My group's research focuses on computational chemical science and materials, with a long-term goal to achieve data-driven design of functional materials and molecules for a sustainable society. Current projects include computational nanocatalysis for CO2 conversion, molecular simulations of chemical separations for carbon capture and critical materials, materials design for advanced batteries and organic-inorganic interfaces, and data-driven machine learning discovery of functional ligands and materials.