Topic: In Silico Materials Chemistry
Speaker: Professor De-en Jiang Department of Chemistry, University of California, Riverside
摘要：Function is key to development of new materials and chemistry. To design a material for a specific function, one needs to account for interaction, energetics, and dynamics to simulate the process. Modern computational software and hardware now allow us to design materials, predict structures, and simulate function for some well-defined systems, indicating the great potential of materials design for complex systems in the near future. In this talk, I will discuss our recent efforts in understanding the atomically precise, ligand-protected metal nanoclusters; simulating ion-gated porous graphene membranes for gas separation; controlling the surfaces and interfaces for catalysis. In each of the studies, one will see a close interplay between computation and experiment, demonstrating that computation or an experiment in silico is now a valuable tool to drive advances in materials chemistry.
Bio: De-en Jiang is a tenured associate professor in Department of Chemistry, University of California, Riverside. He received 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 a postdoctoral research associate and then became a research staff member. He moved 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 220 peer-reviewed publications which have been cited together for over 10,000 times (from Google Scholar). In 2010, he won the Presidential Early Career Awards for Scientists and Engineers (PECASE), the highest honor bestowed by the United States government on outstanding scientists and engineers in the early stages of their independent research careers.