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Reusability report: Exploring the utility and extensibility of an integrated modelling framework for liquid electrolyte design

Nature Machine Intelligence Materials Science AI Genming Lai, Juntao Zhao, Zekai Liu, Ruiqi Zhang, Hanming Li, Qiliang Zhang, Fangchao Rong, Chi Fang, Qinghua Liu, Yunxing Zuo, Bo Xu, Jiaxin Zheng, Chuying Ouyang 2026-07-30

TL;DR - Lai et al. extend and evaluate an integrated modelling framework for liquid electrolyte design, emphasizing robustness, reuse, and extensibility across systems. The framework improves cross-system transferability and multiscale performance over baselines.

  • Examines how training-data size and composition affect model robustness.
  • Evaluates whether a unified electrolyte-design framework can be reused and extended.
  • Demonstrates stronger transfer across electrolyte systems than baseline methods.
  • Reports improved performance across multiple modelling scales.

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