Ionic liquids have special properties that make them interesting for many applications. Depending on the combination of anions and cations, the liquid salts can, for example, be very water (in)soluble, conductive or temperature stable. Polarizable molecular dynamic simulations are an essential key to better understanding ionic liquids and their behavior. An international research team around Christian Schroeder from the Faculty of Chemistry at the University of Vienna presents in an overview article in the renowned journal "Chemical Reviews" the benefits of existing polarizable models for the investigation of liquid salts.

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Publication in Chemical Reviews: D. Bedrov, J.-P. Piquemal, O. Borodin, A. MacKerell, B. Roux and C. Schröder: Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields; Chem. Rev. (2019). DOI: 10.1021/acs.chemrev.8b00763