I am currently pursuing my Ph.D. in Chemical Engineering at Brown University under the supervision of Prof. Yue Qi. Before joining Brown, I completed my Master’s degree at the School of Energy and Power Engineering, Huazhong University of Science and Technology, under the dedicated supervision of Prof. Guang Feng, which served as an extension of my academic pursuits. Prior to this, I was privileged to earn my Bachelor of Engineering degree from Nanjing Normal University, China, in 2022, under the nurturing guidance of Prof. Jing Qi.

My research delves into the intricacies of complex electrochemical processes within the solid-liquid interface electric double layers (EDLs). I explore the underlying microscopic mechanisms of the EDLs formation and ion transport, while devising regulatory strategies from a molecular and atomic standpoint. Additionally, I maintain a keen interest in harnessing the power of emerging machine learning potentials to investigate electrochemical reactions at EDLs.

If you’re interested in collaborating or just want to have a chat, please feel free to email me at tannxi99@gmail.com! I am always open to discussions and eager to learn from others. ^_^!

News

1. [Jul/2023] We created the website.
2. [Jul/2023] We posted a blog about NEP machine learning potential training in room temperature water.
3. [Sep/2023] We posted a blog about NEP machine learning potential training for NiHAB metal-organic framework.
4. [Sep/2023] We published a review paper entitled Molecular dynamics simulations of electrochemical interfaces in Journal of Chemical Physics.
5. [Mar/2024] We published a review paper entitled Decoding electrochemical processes of lithium-ion batteries by classical molecular dynamics simulations in Advanced Energy Materials.
6. [Mar/2024] We published a research paper entitled Constant charge method or constant potential method: Which is better for molecular modeling of electrical double layers? in Journal of Energy Chemistry.
7. [Apr/2024] We published a review paper entitled Progress on understanding heat generation of electrical double layers in Current Opinion in Electrochemistry.
8. [Jun/2024] We published a research paper entitled Unlocking dynamic solvation chemistry and hydrogen evolution mechanism in aqueous zinc batteries in Journal of the American Chemical Society.
9. [Jun/2024] We developed a LAMMPS interface to integrate MLPs with other force fields, such as Lennard-Jones and Tersoff potentials, enhancing simulation speed and accuracy. The open-source code can be found here.
10. [Oct/2024] We published a research paper entitled Unveil the role of structural vacancy in Mn-based Prussian blue analogues for energy storage application in Energy & Environmental Science.
11. [Mar/2025] We published a research paper entitled Machine Learning Relationships Between Nanoporous Structures and Electrochemical Performance in MOF Supercapacitors in Advanced Materials.
12. [Jul/2025] We published a review paper entitled Atomistic simulation of batteries via machine learning force fields: From bulk to interface in Journal of Energy Chemistry.
13. [Oct/2025] We published a research paper entitled Volcano-like relation between surface confinement and heat generated in electrical double layers in Computational Materials Today.

More News

Selected Publications

1. Xi Tan, Liang Zeng*, Yujie Niu, Zixuan Wang, Nan Huang, Zhenxiang Wang, Xin Zhao, Ming Chen, Dong Zhou, Guang Feng*. Volcano-like relation between surface confinement and heat generated in electrical double layers. Computational Materials Today, 2025, 8, 100040. Linkage

2. Xi Tan, Ming Chen, Jinkai Zhang, Shiqi Li, Huajie Zhang, Long Yang, Tian Sun, Xin Qian*, Guang Feng*. Decoding electrochemical processes of lithium-ion batteries by classical molecular dynamics simulations, Advanced Energy Materials, 2024, 14, 2400564. Linkage

3. Liang Zeng, Xi Tan, Xiangyu Ji, Shiqi Li, Jinkai Zhang, Jiaxing Peng, Sheng Bi, Guang Feng*. Constant charge method or constant potential method: Which is better for molecular modeling of electrical double layers? Journal of Energy Chemistry, 2024, 94, 54. Linkage

4. Liang Zeng, Xi Tan, Nan Huang, Guang Feng*. Progress on understanding heat generation of electrical double layers, Current Opinion in Electrochemistry, 2024, 46, 101503. Linkage

“吹灭读书声，一身都是月。”

“书声半窗月，花影一帘风。”