Abstract: Materials design using first-principles techniques is one the ultimate goals in computational materials science. Due to the recent advances in first-principles electronic structure theory and computing power, it is now possible to perform knowledge-based computational design of materials with unique optical, electrical, magnetic, and/or thermal properties that are tuned to specific green energy related applications. This approach has now become a vital tool in accelerating scientific discovery of energy materials. In this presentation, selective works will be discussed to illustrate how computational methods can be used to understand and design functional energy materials, including earth-abundant PV materials; transparent conducting oxides; oxides for H2 production through PEC water splitting; materials for hydrogen, electricity, or thermal energy storage; and materials for solid state lighting.

 

About the Speaker: Su-Huai Wei received his B.S. in Physics from Fudan University in 1981 and Ph.D. in Physics from the College of William and Mary in 1985. He joined the National Renewable Energy Laboratory in 1985 and is currently a Principal Scientist and Manager of the Theoretical Materials Science Group. His research is focused on developing electronic structure theory of materials, especially for semiconductors and energy related materials. He has published more than 370 papers in leading scientific journals, including more than 66 in Physical Review Letters with an H index of 81. He is a Fellow of the American Physical Society.  

 

Date&Time: January 21, 2014(Tuesday), 10:30–11:30 a.m.
Location: 606 Conference Room