A Review of Quantum Modeling and Simulation Approaches for Lithium-ion Batteries.

Abstract

Lithium-ion batteries (LIBs) are critical in modern energy storage systems, powering everything from portable electronics to electric vehicles. However, optimizing their performance and longevity remains a significant challenge. Quantum simulation has emerged as a promising tool to model the complex electrochemical processes within LIBs, offering insights into charging mechanisms and degradation pathways th'at classical methods struggle to capture. This paper presents a systematic literature review of quantum simulation techniques applied to LIBs, focusing on charging and degradation modeling. We analyze the current state-of-the-art, identify key techniques, and discuss the potential of quantum computing to revolutionize battery research. Our findings highlight the advantages of quantum simulations in capturing quantum mechanical and quantum chemistry effects which are critical for accurate battery modeling. Trends in the literature suggest a move toward algorithm optimization, integration with classical methods, and the development of quantum-inspired techniques.