This figure illustrates the role of digital simulations in optimizing smart battery design for efficient full-lifecycle utilization and management. The upper section maps the progression from materials, electrodes/cells, and modules/battery packs to BMS and recycling, alongside their corresponding simulation methods and real-world applications. The lower section emphasizes how multi-scale modeling and simulations drive LIBs research and optimization, spanning scales from the atomic level (10⁻¹⁰ m) to the battery pack level (10⁰ m), with key research areas at each scale. The bottom portion highlights the diverse applications of LIBs in energy storage systems, consumer electronics, and low-emission vehicles, underscoring their pivotal role in the global energy transition.