School of Mathematics, Physics and Statistics; Jing Zhou

Recently, the research team led by Assoc. Prof. Wu Jianbao from the School of Mathematics, Physics and Statistics published their latest findings, titled "Investigation of concentration-dependent solvation structure evolution and glass transition in MgCl2 electrolytes: Implications for aqueous magnesium ion battery performance," in the top-tier journal *Journal of Energy Chemistry* (CAS Q1 Top, Impact Factor 14), a leading publication in engineering technology and energy chemistry.

This study employed a combined approach of molecular dynamics (MD) simulations and density functional theory (DFT) calculations to systematically investigate the evolution of solvation structures and their impact on electrochemical performance across the full concentration range (0-30 M) of MgCl2 aqueous solutions, addressing a critical research gap in the field. The related research was supported by the National Natural Science Foundation of China (Grant No. 11047164) and the Shanghai Basic Research "Explorer Program" (Project No. 24TS1403400).