About Me

Zihan YAN

PhD Student

Zhejiang University & Westlake University

I am a PhD Student at Zhejiang University and Westlake University joint program. I received my Bachelor's degree at the College of Physics Science and Technology, Yangzhou University in 2023. My research focuses on understanding and designing solid-state battery materials by using first-principles calculations and machine learning molecular dynamics simulations. I have published 20 articles in journals like Chem. Mater., Nanoscale Horiz., Small, Energy Storage Mater., JCIS, Nature, Nat.Commun., Adv. Mater., PCCP, etc.

Education

PhD Student in Materials Science and Engineering Zhejiang University & Westlake University (2023 - Present)
Undergraduate Student in Microelectronics Science and Engineering Yangzhou University (2019 - 2023)

Research Interests

DFT Calculations

Density functional theory calculations for materials property prediction and design.

MLMD Simulations

Development and application of machine learning force field for molecular dynamics simulations.

Battery Materials

Investigation of novel solid state electrolyte materials for energy storage.

Publications

GPUMDkit: A User-Friendly Toolkit for GPUMD and NEP

Z. Yan*, D. Li, X. Wu, Z. Liu, C. Hua, B. Situ, H. Yang, S. Tang, B. Tang, Z. Wang, S. Yi, H. Wang, D. Huang, K. Li, Q. Guo, Z. Chen, K. Xu, Y. Wang, Z. Wang, G. Tang, S. Liu, Z. Fan, Y. Zhu*

arxiv