PEMD: a high-throughput simulation and analysis framework for solid polymer electrolytes
Shendong Tan, Bochun Liang, Dexin Lu, Chaoyuan Ji, Wenke Ji, Zihui Li, Tingzheng Hou
原始摘要（英文原文）· Original abstract
PEMD is an open-source Python framework that integrates polymer construction, force-field parameterization, multiscale simulation, and property analysis, with standardized workflows for screening and data-driven design of solid polymer electrolytes.