DOI: 10.1039/d3cs00572k ISSN: 0306-0012
Computational approach inspired advancements of solid-state electrolytes for lithium secondary batteries: from first-principles to machine learning
Zhuoyuan Zheng, Jie Zhou, Yusong Zhu- General Chemistry
The utilization of computational approaches at various scales, including first-principles calculations, MD simulations, multi-physics modeling, and machine learning techniques, has been instrumental in expediting the advancement of SSEs.