关舒会

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年加入上海顺盈平台娱乐。

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，上海顺盈平台娱乐  副研究员

 2016-2022， 上海市农业科顺盈平台，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] 光/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.