Overview
The Jiang Group’s research
focuses on computational chemical science and materials, with a long-term goal
to achieve data-driven design of functional molecules and materials for a
sustainable society. Current research topics include the follow areas: (i)
computational nanocatalysis by nanoclusters, single atoms, oxides, zeolites, 2D
materials, and high-entropy 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, electrode materials, and electrolytes in anion-storage
batteries; (iv) modeling surface chemistry of MXenes.
Awards
-Highly Cited Researcher by Clarivate, 2023
-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
Selected Publications
Dynamic Monkey Bar Mechanism of Superionic Li-ion Transport in LiTaCl6. Lei M, Li B, Liu H. Jiang D-e, Angewandte Chemie International Edition, 63, e202315628, (2024) View Abstract
Monolayer Fullerene Membranes for Hydrogen Separation. Tong Y, Liu H, Dai S, Jiang D-e, Nano Letters, 23, , (2023) View Abstract
Deep Learning Accelerated Determination of Hydride Locations in Metal Nanoclusters. Wang S, Wu Z, Dai S, Jiang D-e, Angewandte International Edition Chemie, 60, 12289-12292, (2021) View Abstract
All-Carboxylate-Protected Superatomic Silver Nanocluster with an Unprecedented Rhombohedral Ag8 Core. Liu KG, Gao XM, Liu T, Hu ML, Jiang D-e, Journal of the American Chemical Society, 142, 16905–16909, (2020) View Abstract
Three-orders-of-magnitude variation of carrier lifetimes with crystal phase of gold nanoclusters. Zhou M, Higaki T, Hu G, Sfeir MY, Chen Y, Jiang D-e, Jin R, Science, 364, 279-282, (2019) View Abstract
Education
Ph.D., Chemistry, University of California, Los AngelesM.S., Chemistry, Peking University
B.S., Chemistry, Peking University