Download file (2.51MB)
Download as zip (2.05MB)

コレクション

引用

説明:

Modern battery technologies demand electrolytes that simultaneously deliver multiple functions tailored to diverse applications. Achieving such multi-objective optimization remains fundamentally challenging, as many key electrolyte properties are intrinsically in competition. Data-driven approaches provide a systematic route to navigating the vast compositional space of electrolyte systems; however, their effectiveness critically depends on the availability of comprehensive datasets that capture not only descriptors derived from isolated molecular structures and properties but also structural and physicochemical characteristics of electrolytes as integrated solutions. Here, we report an open electrolyte database comprising approximately 5600 electrolyte formulations, generated using a fully automated, high-throughput molecular dynamics simulation framework. The dataset spans diverse combinations of solvents, salts, and concentrations, and provides unified descriptions of electrolyte structures and physicochemical properties. To facilitate data exploration and utilization, we implement a web-based graphical user interface (https://oedb.jp) that enables interactive browsing and comparison of electrolyte compositions together with their associated descriptors, while also making the database accessible to LLM-based agents for data reference. This Open Electrolyte Database for Batteries (OEDB) establishes a foundation for data-driven electrolyte design grounded in structure–property relationships at the electrolyte level.

権利情報:

• Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International
  

キーワード: electrolyte database, AI

刊行年月日: 2026-04-20

出版者: Springer Science and Business Media LLC

掲載誌:

• npj Computational Materials (ISSN: 20573960) vol. 12 issue. 1 215

研究助成金:

• Ministry of Education, Culture, Sports, Science and Technology JPMXP1121467561

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.1038/s41524-026-02093-y

関連資料:

その他の識別子:

連絡先:

更新時刻: 2026-09-24 09:16:02 +0900

MDRでの公開時刻: 2026-09-24 10:41:50 +0900