物理系学术报告       Physics Department Colloquium

 

1011周五16:00-17:0012-201

 

 

 

Computational Design of New Energy Materials and its Challenges

Xin-Gao Gong

 

Department of Physics, Fudan University

 

With the rapid development of the modern computational techniques, computational studies on the condensed matter, including understanding physical mechanism, simulating specific dynamics processes and designing desired materials, have played a more and more important role. In this talk, I will take new solar energy materials, a quaternary semiconductor alloy we have worked on for a few years, as an example, to demonstrate the capability of computational designs of materials. I will show, by combining of some basic physical principles, how we can design a quaternary alloy starting with well known binary alloys, how we can predict the defect properties in such complicate alloys. Also, I will further show how we can propose some mechanism to explain the experimental observation based on the detailed computational studies. Furthermore, I will present how the computational studies can search new crystal structures, defect structures and grain boundary structures in the quaternary semiconductor alloy by using our own developed algorithm. Finally, I will briefly discuss some key challenges in computational design of materials. 

 

学历

19827         湖南师范大学物理系理学学士

19857         中国科学院固体物理研究所     理学硕士

199310        中国科学院固体物理研究所     理学博士

 

研究方向:计算凝聚态物理

1993任中科院固体所研究员

2000起任复旦教授特聘教授、谢希德特聘教授

国家重大科学研究计划首席科学家

计算物质科学教育部重点实验室主任

材料学会计算材料学分会副主任兼干事长

物理学会凝聚态计算专业委员会副主任

 

获奖

l       中国科学院院长奖学金特别奖(1993)

l       中国科学院青年科学家奖(1995)

l       安徽省 优秀回国人员(1995)克立奖(南京大学)(19951996)

l       国家“百千万人才工程”第一、第二层人选(1997

l       中国科学院优秀研究生导师(1998)(1999)

l       国家人事部、中央组织部、宣传部、统战部、教育部、科技部等六部委

联合表彰的“全国留学归国人员先进个人”(2003)

l       上海市优秀学科带头人计划(2006

l       上海市科学技术奖(自然科学一等奖)(2009

l       美国物理学学会Fellow.(2009)

l       各民主党派、工商联、无党派人士为全面建设小康社会作贡献先进个人

l       国家自然科学奖二等奖(排名第一)(2012

l       “万人计划” 百千万人才工程领军人才(2012