From the stability of colloidal suspensions to the charging of electrodes, electric double
layers play a pivotal role in aqueous systems. The interactions between interfaces, water …

During the last ten years significant progress has been made in the understanding of
specific ion effects. On the one hand new ideas about the origin of these effects came up …

Monovalent ions play significant roles in various biological and material systems. Recently,
four new water models (OPC3, OPC, TIP3P-FB, and TIP4P-FB), with significantly improved …

Monovalent ions play fundamental roles in many biological processes in organisms.
Modeling these ions in molecular simulations continues to be a challenging problem. The 12 …

Understanding the collective behavior of ions at charged surfaces is of paramount
importance for geological and electrochemical processes. Ions screen the surface charge …

Over recent years, the supposedly universal Hofmeister series has been replaced by a
diverse spectrum of direct, partially altered and reversed series. This review aims to provide …

Using a two-step modeling approach, we address the full spectrum of direct, reversed, and
altered ionic sequences as the charge of the ion, the charge of the surface, and the surface …

We describe a two-scale modeling approach toward anion specificity at surfaces of varying
charge and polarity. Explicit-solvent atomistic molecular dynamics simulations at neutral …

The flow of current through an ionic channel is studied using the energetic variational
approach of Liu applied to the primitive (implicit solvent) model of ionic solutions. This …

The effect of salt on the dynamics of water molecules follows the Hofmeister series. For
some “structure-making” salts, the self-diffusion coefficient of the water molecules, D …