Our OPLS-2009IL force field parameters (J. Chem. Theory Comput. 2009, 5, 1038–1050)
were originally developed and tested on 68 unique ionic liquids featuring the 1-alkyl-3 …

Several novel applications of Deep Eutectic Solvents (DESs) have emerged recently. With a
growing interest in the field, there is an urge to understand formation and functioning of …

The thermodynamics, structures, and applications of thermoresponsive systems, consisting
primarily of water solutions of organic salts, are reviewed. The focus is on organic salts of …

Cassandra is an open source atomistic Monte Carlo software package that is effective in
simulating the thermodynamic properties of fluids and solids. The different features and …

Lithium-ion batteries face low temperature performance issues, limiting the adoption of
technologies ranging from electric vehicles to stationary grid storage. This problem is …

With the aid of molecular dynamics simulations, we study the structure and dynamics of
different ionic liquid systems, with focus on hydrogen bond, ion pair and ion cage formation …

In this Perspective, we provide a detailed discussion of the techniques and methods used for
determining the solubility of gases in ionic liquids (ILs). This includes various experimental …

The practical use of ionic liquids (ILs) is benefiting from a growing understanding of the
underpinning structural and dynamic properties, facilitated through classical molecular …

Molecular simulations of ionic liquids can provide deeper insight into the relationship
between intermolecular interactions and macroscopic measurements for the solvents …

Although the “like-dissolves-like” rule is often invoked to explain why sodium chloride
dissolves in water, hidden behind this explanation is the delicate balance between the very …