Many applications in chemistry, biology, and energy storage/conversion research rely on
molecular simulations to provide fundamental insight into structural and transport properties …

Until recently,“room-temperature”(< 100− 150 C) liquidstate electrochemistry was mostly
electrochemistry of diluted electrolytes 1− 4 where dissolved salt ions were surrounded by a …

Proteins that undergo liquid–liquid phase separation (LLPS) have been shown to play a
critical role in many physiological functions through formation of condensed liquid-like …

Applications of ionic liquids at electrified interfaces to energy-storage systems,
electrowetting devices, or nanojunction gating media cannot proceed without a deep …

A many-body polarizable force field has been developed and validated for ionic liquids (ILs)
containing 1-methyl-3-alkylimidazolium, 1-alkyl-2-methyl-3-alkylimidazolium, N-methyl-N …

Some of the most active scientific research fronts of the past decade are centered on ionic
liquids. These fluids present characteristic surface behavior and distinctive trends of their …

In order to understand basic principles of the double layer formation in room temperature
ionic liquids, we have performed Molecular Dynamic simulations for a simplified system …

Molecular dynamics simulations have been carried out to investigate nanostructural
organization in mixtures of 1-octyl-3-methylimidazolium nitrate ionic liquid and water at …

Molecular dynamics simulations with an all-atom model were carried out to study the ionic
liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate,[bmim][PF6]. Analysis was …

In this work, we investigate the slow dynamics of 1-butyl-3-methylimidazolium
hexafluorophosphate, a very popular room-temperature ionic solvent. Our study predicts the …