Computational Physics and Chemistry Contributions to the Investigation of Ionic Liquids

Dear Colleagues,

Ionic liquids have largely been investigated for their peculiar experimental properties and their uncountable applications. From a computational point of view, they pose many challenges, mainly because they are composed of ions, and at ambient temperature and pressure most of them take liquid form, lacking a periodic structure. Describing mixtures of ionic liquids with other ionic liquids or molecular solvents is an even greater challenge.

Computational chemistry and physics provide important contributions for understanding the reported properties of ionic liquids and mixtures, rationalizing them and predicting behaviors that have yet to be experimentally investigated.

We invite contributions to this Special Issue concerning new computational contributions to explain or rationalize ionic liquids’ properties and their use in real applications.

Dr. Annalisa Paolone
Dr. Oriele Palumbo
Guest Editors

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