WENQI CHEN

About me

Welcome! This is Wenqi Chen’s personal blog.

My name is Wenqi Chen, a Ph.D. student from Tsinghua University, P.R. China. I AM MARRIED! The area I am focusing on is the computational kinetics of chemical reactions in the gas phase over a broad temperature and pressure range using Variational Transition Theory. I am also interested in the anharmonic corrections for large-amplitude motions, such as low-frequency out-of-plane bends and internal rotations (torsions), of complex molecules. These corrections are essential for obtaining accurate partition functions, thermodynamic functions, and/or transition-state-theory rate constants. I have been devoting myself to developing new tools for correcting torsional anharmonicity and finding conformers.

哈喽！这里是 Wenqi Chen 的个人博客。

我是陈文琦，清华大学能源与动力工程专业博士在读。我结婚啦！我的主攻方向是气相反应动力学，即通过理论计算手段，计算重要气相化学反应中感兴趣的物理/化学参数 (如: 化学反应速率常数，反应分支比，潜在反应路径等)；我还对复杂分子内原子核的大振幅运动 (如: 低频面外弯曲和分子内部旋转(扭转)) 的非简谐校正感兴趣，其对于获得准确的配分函数、热力学函数和/或过渡态理论速率常数是必要的。博士期间主要工作倾向于上述领域相关计算方法的开发与软件实现。

Interest

• 运动：篮球、羽毛球；技术水平：菜；

• 游戏：FPS类型，Roguelike类型；技术水平：菜；

• 其他：单片机开发；技术水平：仅会Arduino整个流水灯；

• 其他：科学软件开发；技术水平：Python, Matlab, Fortran (用的多一点)；C++, C (用的不太多)；GUI搞过一些，爬虫搞过一些。

🤣🤣🤣🤣

Education

1：HUST: Huazhong University of Science and Technology

Ph.D. Candidate
Tsinghua University · P.R. China
2019 - Present
Field:

- Kinetics of elementary chemical reactions in the gas phase.
- Quantum effects in elementary chemical reactions.
- Anharmonicity corrections for nuclear's large amplitude motion 

Bachelor Degree
HUST · P.R. China
2015 - 2019
Field: Energy and Power Engineering

Publication

• Chen, W.; Trabelsi, T.; Xu, X.; Franciso, J. S. Spectroscopy of Triatomic [Si, P, O] Molecules. Molecular Physics 2023, 0 (0), e2292166

• Chen, W.; Zheng, J.; Bao, J. L.; Truhlar, D. G.; Xu, X. MSTor 2023: A new version of the computer code for multistructural torsional anharmonicity, now with automatic torsional identification using redundant internal coordinates. Comput. Phys. Commun. 2023 108740.

• Chen, W.; Zhang, P.; Truhlar, D. G.; Zheng, J.; Xu, X. Identification of Torsional Modes in Complex Molecules Using Redundant Internal Coordinates: The Multistructural Method with Torsional Anharmonicity with a Coupled Torsional Potential and Delocalized Torsions. J. Chem. Theory Comput. 2022, 18 (12), 7671–7682.

• Zhang, R. M.; Chen, W.; Truhlar, D. G.; Xu, X. Master Equation Study of Hydrogen Abstraction from HCHO by OH via a Chemically Activated Intermediate. Faraday Discuss. 2022, 238 (0), 431–460.

• Chen, W.; Guo, X.; Chen, L.; Zhang, R.; Li, Y.; Feng, H.; Xu, X.; Zhang, X. A Kinetics Study on Hydrogen Abstraction Reactions of Cyclopentane by Hydrogen, Methyl, and Ethyl Radicals. Phys. Chem. Chem. Phys. 2021, 23 (12), 7333–7342.

Cowboy Bebop

Webb’s First Images

Credit: NASA, ESA, CSA, STScI, and the Webb ERO Production Team

Src: https://esawebb.org/images/weic2210a/