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Dequan Xiao

Dequan Xiao

Director of Center for Integraive Materials Discovery
University of New Haven
United States


Dequan Xiao completed his PhD at Duke University in 2009 and postdoctoral studies at Yale University from 2009 to 2013. He is the director of Center for Integrative Materials Discovery and the University Research Scholar at the University of New Haven. He is focused on integrating frontier chemical theories with experimental methods to drive the discovery of new materials for the applications in renewable energy and molecular therapy. He has published more than 36 papers in high-impact journals and 3 book chapters, and has been served as the advisory board member of Connecticut NASA Space Grant Consortium.

Research Interest

Inverse molecular design of green catalysts for converting biomass into value-added chemicals: inverse molecular design theory, binding energy analysis of catalytic surfaces, and catalytic hydrogenation of biomass polymers; Computational design for polymer and dye-sensitized solar cells; and De novo design for molecular drugs for Leukemia cancer and Parkinson’s diseases. Keywords: inverse molecular design theory, binding energy analysis, green catalysts, bio fuels, photo voltaic materials, and molecular drugs.