PEMD: a high-throughput simulation and analysis framework for solid polymer electrolytes
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.
Institutions
- City University of Hong Kong (HK)
- Tsinghua University (CN)
Publication Details
- Journal
- Digital Discovery
- Published
- 2025-12-12
- DOI
- https://doi.org/10.1039/d5dd00454c
- Primary Topic
- Advanced Battery Materials and Technologies
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- Natural Science Foundation of Guangdong Province