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±¨¸æÌâÄ¿£ºIn Silico Materials Chemistry

±¨¸æÈË£ºDr. De-en

Jiang, University of California, Riverside, USA

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Function is key to development ofnew materials and chemistry. To design a material for a specific function, oneneeds to account for interaction, energetics, and dynamics to simulate the process. Modern computational software and hardware now allow us to designmaterials, predict structures, and simulate function for some well-definedsystems, indicating the great potential of materials design for complex systemsin the near future. In this talk, I will discuss our recent efforts inunderstanding the atomically precise, ligand-protected metal nanoclusters;simulating ion-gated porous graphene membranes for gas separation; controllingthe surfaces and interfaces for catalysis. In each of the studies, one will seea close interplay between computation and experiment, demonstrating thatcomputation or an experiment in silico is now a valuable tool to drive advances in materials chemistry.

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De-en Jiang is a tenured associateprofessor in Department of Chemistry, University of California, Riverside. Hereceived his B.S. and M.S. degrees from Peking University and his Ph.D. degree from UCLA, all in chemistry. He joined Oak Ridge National Laboratory first as apostdoctoral research associate and then became a research staff member. Hemoved to University of California, Riverside in July 2014. His research focuses on applying state-of-the-art computational methods to important chemical systems and energy-relevant problems. He has authored and co-authored over 220peer-reviewed publications which have been cited together for over 11,000 times(from Google Scholar; H-index: 60). In 2010, he won the Presidential EarlyCareer Awards for Scientists and Engineers (PECASE), the highest honor bestowedby the United States government on outstanding scientists and engineers in theearly stages of their independent research careers.

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