Arts & Sciences Events
[PAST EVENT] Condensed Matter Seminar - Su-Huai Wei
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- Open to the public
Su-Huai Wei, Beijing Computational Science Research Center, Beijing, China
Title of Talk: First-Principles Design of Materials for Clean Energy Applications
Abstract:
Materials design using first-principles techniques is one of the ultimate goals in computational materials science. Recent advances in first-principles electronic structure theory and computing power has enabled us to perform knowledge-based computational design of materials with unique mechanical, electric, optoelectronic, and thermal properties that are tuned to specific clean energy related applications. This approach has now become a vital tool in accelerating scientific discovery of new energy materials. In this talk, using several examples, I will illustrate how computational methods can be used to understand and design functional materials, including solar-electric materials; solar-chemical materials; solar-thermal materials, and transparent conducting materials.