The Front Cover illustrates an autonomous workflow, implemented in the framework of Density Functional Theory, designed to automatically calculate crucial properties for battery intercalation electrodes, including thermodynamic and mechanical stability, open circuit voltages (OCV), as well as kinetic barriers. Applied here to identify cathode materials for Mg‐ion batteries, this workflow enables an accelerated discovery of intercalation battery electrodes. More information can be found in the Article by J. M. Garcia‐Lastra, I. E. Castelli and co‐workers.

中文翻译：

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自主发现嵌入电极的材料

封面说明了在密度泛函理论框架内实施的自主工作流程，旨在自动计算电池插层电极的关键特性，包括热力学和机械稳定性，开路电压（OCV）以及动态势垒。此工作流程在此用于识别Mg离子电池的阴极材料时，可加快发现插层式电池电极的速度。可以在J.M. Garcia-Lastra，I.E。Castelli及其同事的文章中找到更多信息。