报告人简介：魏苏淮教授，现任北京计算科学研究中心讲座教授、材料与能源研究部主任，国家重点专项首席科学家，国家基金委重大项目负责人，美国物理学会会士（APS Fellow），美国材料学会会士（MRS Fellow）。1981年本科毕业于复旦大学，1985年在美国威廉玛丽学院取得理学博士学位，1985年-2015年，在美国可再生能源国家实验室(NREL)历任博士后、科学家、资深科学家、首席科学家、理论研究室主任，实验室Fellow。在半导体能带理论、缺陷与合金物理、能源与光电材料设计、计算方法等方面取得了系统的原创性成果。已发表SCI论文520余篇，包括72篇PRL。论文引用大于60000多次，H因子大于120（Google Scholar）。

摘要：First-principles study of semiconductor materials plays an important role in developing clean energy technologies because it can provide useful physical insights, fresh perspective, and new design principles for developing innovative clean energy materials with high energy conversion efficiency and reduced cost. Similar to other semiconductors, one of the most important issues in studying clean energy material is to accurately calculate its band structure, predict its defect properties, and continuously tune its material properties, for example, through alloying. In this talk, using CdTe as an example, I will discuss how the development of theoretical first-principles calculation methods can be used to better understand and improve its solar cell performance.