In a context of climate change and exponential world demand for energy, the development of new batteries is paramount to gain flexibility in the use of renewable energies. Moreover, specific applications (e.g. electric vehicles) require an increase in the power and energy density of the prevailing Li-ion technology. Last, low natural abundance and unequal distribution of lithium resources remain the most severe restrictions to a large-scale and sustainable development [1]. Several abundant metals are plausible alternatives, among which sodium (Na), potassium (K), calcium (Ca), magnesium (Mg) and zinc (Zn) [2]. Divalent cations (Ca, Mg, Zn) appear promising in the quest for powerful batteries, with processes involving the transfer of two electrons per charge carrier. But such batteries are limited by i) the formation of anarchic morphologies during the deposition process and ii) side reactions with the electrolyte, that create a passivation layer and lead to a poor Coulombic efficiency [3]. This project aims to investigate a large range of plausible electrolytes for divalent ion batteries via both advanced computational methods (polarizable molecular dynamics, ab-initio molecular dynamics) and experiments (e.g. isothermal titration calorimetry) to offer a fine understanding of the interactions taking place at the molecular scale. Finally, a large library gathering electrolyte properties will be constructed, to improve and predict the characteristics of existing and new electrolytes. [1] Armand, M.; Tarascon, J.-M. Nature 2008, 451 (7179), 652–657. https://doi.org/10.1038/451652a. [2] Man, Y. et al. Sci. Bull. 2023, 68 (16), 1819–1842. https://doi.org/10.1016/j.scib.2023.07.027. [3] Rajput, N. N. et al. J. Am. Chem. Soc. 2015, 137 (9), 3411–3420. https://doi.org/10.1021/jacs.5b01004.