Our work focuses on understanding ionic soft matter, particularly ionic liquids and deep eutectic solvents, as versatile and tunable materials with broad technological potential. These systems exhibit complex, highly dynamic interactions that give rise to their unique properties, while also posing significant challenges for their molecular-level description. Our research addresses this complexity by combining computational approaches with close interaction with experimental efforts, with the aim of establishing clear structure–property relationships. This dual perspective, spanning fundamental understanding and practical applications, underpins the research activities outlined below.