Skip to main content

De en Jiang

Professor of Chemical and Biomolecular Engineering


The Jiang Group’s research focuses on computational chemical science and engineering, with a long-term goal to achieve data-driven design of functional materials and molecules for a sustainable society. Current research topics include the follow areas: (i) computational nanocatalysis by nanoclusters, single atoms, oxides, perovskites, zeolites, and 2D materials; (ii) simulations of molecular and ionic separations via membranes, sorbents, composite systems, and ionic liquids for carbon capture and rare-earth separations; (iii) first principles understanding of electrical energy storage and solid/liquid interfaces in batteries and capacitors.


• Fellow of the American Association for the Advancement of Science (AAAS), 2021
• Kavli Fellow, National Academy of Sciences, 2012
• Presidential Early Career Awards for Scientists and Engineers (PECASE), 2010
• DOE Office of Science Early Career Scientist and Engineer Award, 2009
• ORNL Early Career Award for scientific achievements, 2009