Recently, the research team led by Associate Professor Zheng Jiaxin from the School of Advanced Materials at Peking University, in partnership with Shenzhen Yigen Technology, has successfully developed a charge-coupled moment tensor potential (QMTP) model. This model facilitates molecular-scale dynamic analysis of electrochemical and chemical reactions occurring at the interface of lithium metal anodes, shedding light on the dynamic mechanism of the coupling process between lithium metal and electrolyte. Notably, it highlights the pivotal role of charge transfer in this process. Building upon this foundation, the research team has proposed a novel interface design strategy that focuses on regulating charge transfer dynamics. This groundbreaking discovery holds immense significance for advancing our understanding of the interface reaction mechanism of lithium metal anodes and optimizing their performance, with the potential to propel the development of high-specific-energy battery technology.