报告题目(中文)：Using classical MD to better understand and design solid electrolytes

报告内容简介：Classical forcefield based molecular dynamics (MD) is less accurate than ab initio MD but simulations can be done up to microsecond timescale of for systems with millions of atoms. It is particularly suitable for modelling solid electrolytes where interatomic interactions can be successfully described by simple potentials. I will present the basics of classical MD, its advantages and limitations and present an example of using the method to better understand ionic conductivity in the family of layered superionic conductors and identify design rules to further improve the properties.

报告人姓名：Max Avdeev

报告人简介(中文)：Max Avdeev is responsible for the high-resolution neutron powder diffractometer at the OPAL research reactor operated by the Australian Nuclear Science and Technology Organisation (ANSTO). He received PhD in 1999 for the work in synthesis and crystal structural studies of Na-superionic conductors. After postdoctoral position at the Argonne National Laboratory (USA), in 2005 he joined ANSTO as a full-time researcher. He also holds Adjunct Professor position at the University of Sydney. His main research interests are studies of crystal and magnetic structure of inorganic materials using X-ray and neutron diffraction and atomistic modelling. The results were published in over 350 papers in condensed matter physics, solid state chemistry, and materials science journals.

报告人单位(中文)：Australian Nuclear Science and Technology Organisation (ANSTO)

报告时间：2019-07-16 14:00

报告地点：东区材料楼B楼526会议室

主办单位：上海大学材料学院

联系人：施思齐