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Updated: Feb 7, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Machine learning molecular dynamics simulations of coordination and diffusion behaviors in lithiated gallium

Qiuyi Fu1, Hao Yuan1, Haitang Wang1

  • 1School of Chemical Engineering, College of Chemistry and Materials, Jiangxi Normal University, Nanchang, 330022, China. gbzhou@jxnu.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|February 6, 2026
PubMed
Summary

Machine learning force fields reveal how lithium-gallium alloy structures impact ion transport in flexible battery anodes. Understanding these dynamics is key for developing advanced energy storage solutions.

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