报告题目：Understanding and Designing Materials from Computation
报 告 人：
报告时间：
报告地点：安徽大学磬苑校区理工G楼208室
主办单位：化学化工学院
科学技术处
报告摘要：
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 tools 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 predicting structures for atomically precise, ligand-protected gold nanoclusters; understanding the structure and function of electrolytes in a model supercapacitor; designing and simulating one-atom-thin membrane for energy-efficient gas separation. 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 avaluable tool to drive advances in materials chemistry.
报告人简介：
De-en Jiang ( 江德恩） is an assistant professor in Department of Chemistry, University of California, Riverside. He received his B.S. degree in 1997 and M.S. degree in 2000 both from