报告题目：Computational Studies of  Novel Energy Materials: From Structure  to Extrinsic Properties

报告人：  龚新高院士，复旦大学

时间:  11月22日（周四），下午3:00pm

地点:   田家炳楼南203室

邀请人：王金兰

欢迎参加！

摘要：With the rapid development of the modern computational techniques, computational studies on the condensed matter, designing desired materials and simulating specific dynamics processes, becomes feasible task and actually have played a more and more important role in materials science. In this talk, I will take new solar energy materials, a quaternary semiconductor alloy, as an example, to demonstrate the capability of computational studies of materials. I will show, by combining of some basic physical intuition, how we can clarify their structures and electronic properties of the quaternary alloys, how we can understand the underline physics of the complicate material process. I will discuss our recent progress on the interface, including the grain boundary in the solar cell. Finally, I will briefly report our new results on the recombination rate in the solar cell by developing a new algorithm which makes the calculation feasible in the realistic materials.

龚新高，复旦大学谢希德****、国家杰出青年基金获得者、科技部重大科学研究计划首席科学家、万人计划领军人才、美国物理学会会士、中国科学院院士。 1982年7月大学本科毕业，1985年7月和1993年分别获得理学硕士和理学博士。1993起在中国科学院固体物理所任研究员，2000年任复旦大学物理系教授， 1999年获得国家杰出青年基金。2009年 创建复旦大学计算物质科学教育部重点实验室并担任主任。主要研究方向为计算凝聚态物理，包括理论计算方法发展、低维结构的计算和模拟、新型能源材料的计算设计等。 曾获得国家自然科学二等奖一次、省部级自然科学奖一等奖二次。