Abstract
High pressure is an important method to modify the free energy surface of physical systems and overcome the barriers for synthesizing new materials and finding new states. In this talk, I will briefly introduce the development of some computational methods in my group, such as the machine learning accelerated crystal structure prediction [1], machine learning force field [2], and the determination of dimensionality and multiplicity of crystal nets using graph theory [3]. In addition, I will show some of our recent progress on the applications of these methods, for instance, the predictions of new states of matter under planetary conditions (superionic state, plastic state and their coexistence) [4-6], as well as new materials designed with high pressure method, such as the superconducting monolayer T-graphene [7] and high energy density petazolate salts [8].
Reference
1. K. Xia, H. Gao, C. Liu, J. Yuan, J. Sun*, H.-T. Wang*, D.Y. Xing, Sci. Bull. 63, 817 (2018).
2. H. Gao, J. Wang, and J. Sun*, J. Chem. Phys. 150, 244110 (2019).
3. H. Gao, J. Wang, Z.P. Guo, and J. Sun*, npj Comput. Mater. (2020) (accepted).
4. C. Liu, H. Gao, Y. Wang, R. J. Needs, C. J. Pickard, J. Sun*, H.-T. Wang*, D.Y. Xing, Nature Physics 15, 1065 (2019).
5. C. Liu, H. Gao, A. Hermann, Y. Wang, M.S. Miao, C. J. Pickard, R. J. Needs, H.-T. Wang, D.Y. Xing, and J. Sun*, Phys. Rev. X 10, 021007 (2020).
6. H. Gao, C. Liu, A. Hermann, R. J. Needs, C. J. Pickard, H.-T. Wang, D.Y. Xing, and J. Sun*, Natl. Sci. Rev. (2020). DOI: 10.1093/nsr/nwaa064
7. Q.Y. Gu, D.Y. Xing, J. Sun*, Chin. Phys. Lett. 36, 097401 (2019) (Express letter)
8. K. Xia, J. Yuan, X. Zheng, C. Liu, H. Gao, Q. Wu, and J. Sun*, J. Phys. Chem. Lett. 10, 6166 (2019).
Speaker
孙建，南京大学，物理学院和固体微结构国家重点实验室，教授。分别于2002和2007年在南京大学物理系获学士和博士学位，先后在加拿大、德国、英国剑桥大学等地从事博士后研究，2013年受聘于南京大学物理学院。研究领域主要集中于高压物理、计算凝聚态物理和材料设计。在计算方法发展、高压相变和晶体结构预测、高压材料设计、高压下的新物态等方面做出一系列重要工作。已在国际一流学术刊物上发表SCI论文70余篇，包括Nature Physics，PRL/PRX，PNAS，JACS高水平杂志文章10余篇。获2011年中国国家自然科学二等奖（第五完成人）、2013年国家“海外高层次青年人才引进计划”、2014 GRC van Valkenburg奖、2015年江苏省杰出青年基金等。担任中国物理学会高压物理专业委员会委员、中国材料学会计算材料学分会委员，《高压物理》杂志编委。
Date&Time
2020.09.15 (Tue) AM 9:30
Location
Aoqing Tang building, B521
