副研究员-关舒会

发布者:信息发布员发布时间:2022-09-29浏览次数:10




1. 个人简介:

姓名:关舒会

职称:副研究员

邮箱:shguan@shnu.edu.cn

简介: 物理化学专业,研究方向为量子化学模拟与应用,致力于计算化学在能源与环境催化领域的理论研究。近年来,在J.Am.Chem.Soc, J.Phys.Chem.C, J.Chem.Phys等学术刊物上主笔发表SCI论文20余篇。2022年加入上海师范大学。

2. 教育工作经历:

教育经历:

 2013-2016,博士,复旦大学

 2010-2013,硕士,上海大学

 2006-2010学士,广西大学

工作经历:

 2022-至今,上海师范大学  副研究员

 2016-2022, 上海市农业科学院,助理研究员/副研究员

3. 研究领域

 [1] 原子模拟新方法

 [2] 固体相变

 [3] /电催化

 [4]  燃料电池

4. 项目与荣誉

  • 国家自然科学基金(青年项目)(2021

  • 上海市科委“扬帆计划”(2019

5. 成果

代表性论文:

  1. Shu-Hui Guan, Xiao-Jie Zhang, and Zhi-Pan Liu*. Energy Landscape of Zirconia Phase Transitions.J. Am. Chem. Soc.2015, 137(25):8010-80

  2. Shuhui Guan and Zhipan Liu*. Anisotropic Kinetics of Solid Phase Transition from First Principles: Alpha-Omega Phase Transformation of Zr. Phys. Chem. Chem. Phys., 2016, 1.4  

  3. Shuhui Guan, Xiaojie Zhang and Zhipan Liu*. Energy Landscape and Crystal-to-Crystal Transition of Ternary Silicate Mg2SiO4. J. Phys. Chem. C, 2016, 10.17

  4. Shuhui Guan, Cheng Shang, Si-Da Huang, Zhi-Pan Liu*. Two-stage solid phase transition of cubic ice to hexagonal ice: structural origin and kinetics. J. Phys. Chem. C, 2018,11.27

  5. Shuhui Guan,Cheng Shang, Ke-Xiang Zhang, Zhi-Pan Liu*, Stability and anion diffusion kinetics of Yttria-stabilized zirconia resolved from machine learning. J. Chem. Phys,2020,3.2.

  6. Shuhui Guan, Cheng Shang, Zhi-Pan Liu*, Resolving the Temperature and Composition Dependence of Ion Conductivity for Yttria-Stabilized Zirconia from Machine Learning Simulation. The J. Phys. Chem. C, 2020, 6.22.

  7. Shu-Hui Guan, Zhi-Pan Liu*Theoretical Aspects on Doped-Zirconia for Solid-Oxide Fuel Cells: from Structure to Conductivity, Chin. J. Chem. Phys. 2021, 4.27.

  8. Shu-Hui Guan, Cheng Shang, Zhi-Pan Liu*Structure and Dynamics of Energy Materials from Machine Learning Simulations: A Topical Review, Chin.J.Chem. 2021,39,3144-3154.

  9. Qinghua Ren*, Shuhui Guan, Feng Jiang and Jianhui Fang. Density Functional Theory Study of the Mechanisms of Iron-catalyzed Cross-Coupling Reactions of Alkyl Grignard Reagents. J.Phys.Chem.A,2013, 117(4),756-764

  10. Qinghua Ren*, Shuhui Guan, Xiaoyan Sheng and Jianhui Fang. Density Functional Theory Study of the Mechanisms of Iron-Catalyzed Aminohydroxylation Reactions, Organometallics, 2014, 33, 1423-1430.