Siqi Shi, Professor, School of Materials Science and Engineering/Materials Genome Institute, Shanghai University

Liqun Cao, Professor

Computation and Design of Electrochemical Energy Storage Materials

13:00-14:00 April 23 (Sunday), N226

The key to electrochemical energy storage systems such as Li/Na-ion batteries is materials. The traditional method for exploring new materials is trial-and-error, which often takes a dozen years during the research and development process from the materials discovery to application, being difficult to meet the requirement of the industry community to high-performance electrochemical energy storage materials. Therefore, in order to accelerate the research and development speed of new materials, it is urgently expected that we can understand the key scientific problems such as the synergistic regulation of electronic/ionic transport and interfacial stability from interdisciplinary perspective including physics, materials, chemistry and mathematics and organic fusion of theoretical, computational and experimental methods. In this talk, I will introduce the main progresses in this aspect by presenting our some researches, and look into the role of multiscale computation in designing the novel electrochemical energy storage materials.

报告人简介：施思齐，教授，博士生导师，现任职于上海大学材料科学与工程学院和材料基因组工程研究院，国家优秀青年科学基金获得者(2016年)。2004年7月博士毕业于中国科学院物理研究所，师从陈立泉院士和王鼎盛院士。2004年8月至2013年5月先后在日本产业技术综合研究所、美国内布拉斯加州-林肯大学和美国布朗大学做博士后或访问学者。主要研究方向为电化学储能材料的计算与设计、材料数据库与机器学习，致力于推动人工智能赋能材料研发。2001年率先在国内应用第一性原理计算研究锂离子电池材料。已在Nat Catal、Chem Rev、Prog Mater Sci、Natl Sci Rev、Adv Mater等期刊发表论文180余篇。创建具有独立自主知识产权的电化学储能材料计算与数据平台。承担国家自然科学基金、国家重点研发计划等项目12项。目前是中国硅酸盐学会固态离子学分会理事、中国材料研究学会计算材料学分会委员。担任《Computational Materials Science》、《Journal of Materials Informatics》、《储能科学与技术》、《硅酸盐学报》、中国物理学会“四刊”和《中国科学：技术科学》等期刊(青年)编委。