Toward Automated Computational Discovery of Battery Materials
Xiang Feng, Qianfan Zhang, Zhi Wei Seh
2022 · Advanced Materials Technologies · 13 citations
Abstract New rechargeable batteries with high energy density and low cost have been intensively explored, but their commercialization still faces multiple challenges involving battery materials and interfaces. Some difficulties faced by battery materials are that a single material often needs to possess multiple functions, and also needs to be cheap, easy to prepare, safe, and environmentally friendly. Recent developments in workflow managers (WMs) along with continuously increasing computing power have enabled the automated computational workflow method. Using this method, the WM can execute…
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