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 14 articles in journals like Energy Storage Mater., Chem. Mater., Nanoscale Horiz., Small, JCIS, 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

Improving robustness and training efficiency of machine-learned potentials by incorporating short-range empirical potentials

Zihan Yan, Zheyong Fan, Yizhou Zhu*

arxiv

DOI

Impact of lithium nonstoichiometry on ionic diffusion in tetragonal garnet-type Li₇La₃Zr₂O₁₂

Z. Yan, Y. Zhu*

Chemistry of Materials

Elucidating Anisotropic Ionic Diffusion Mechanism in Li₃YCl₆ with Molecular Dynamics Simulations

J. Geng, Z. Yan, Y. Zhu*

ACS Applied Materials & Interfaces

GPUMDkit

GitHub Website Docs

A Toolkit for GPUMD&NEP

Format Conversion

Convert between various formats for molecular dynamics simulations

Sample Structures

Sample structures by various methods for simulation setup

Workflow

Workflows for active-learning iterations and simulation pipelines

Calculators

Calculate various properties of your system with ease

Hello, I'm Zihan YAN!