Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …

Ionic solutions are mixtures of interacting anions and cations. They hardly resemble dilute
gases of uncharged noninteracting point particles described in elementary textbooks …

Describing analytically the transport properties of electrolytes, such as their conductivity or
the self-diffusion of the ions, has been a central challenge of chemical physics for almost a …

This work demonstrates a general method for simulating multicomponent diffusion in
concentrated solutions using molecular dynamics (MD). Although there have been prior …

Observing finite regions of a bigger system is a common aim, from microscopy to molecular
simulations. In the latter especially, there is ongoing interest in predicting thermodynamic …

Ions in water are the liquid of life. Life occurs almost entirely in “salt water.” Life began in
salty oceans. Animals kept that salt water within them when they moved out of the ocean to …

Over the decades, a great deal of attention has been focused on the solvation and transport
properties of small rigid monatomic ions such as Na+, K+, Li+, Cl−, and Br− due to their …

The viscosity of aqueous electrolyte solutions exhibits well-known composition-dependent
anomalies that show certain definitive trends and universal features. The viscosity of LiCl …

Ion transport coefficients in electrolyte solutions (eg, diffusion coefficients or electric
conductivity) have been a subject of extensive studies for a long time. Whereas in the …

Employing recent advances in response theory and nonequilibrium ensemble reweighting,
we study the dynamic and static correlations that give rise to an electric field-dependent …