報告人簡介：魏蘇淮教授，現任北京計算科學研究中心講座教授、材料與能源研究部主任，國家重點專項首席科學家，國家基金委重大項目負責人，美國物理學會會士（APS Fellow），美國材料學會會士（MRS Fellow）。1981年本科畢業于複旦大學，1985年在美國威廉瑪麗學院取得理學博士學位，1985年-2015年，在美國可再生能源國家實驗室(NREL)曆任博士後、科學家、資深科學家、首席科學家、理論研究室主任，實驗室Fellow。在半導體能帶理論、缺陷與合金物理、能源與光電材料設計、計算方法等方面取得了系統的原創性成果。已發表SCI論文520餘篇，包括72篇PRL。論文引用大于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.