Using Brownian dynamics simulations, we investigate the effects of confinement, adsorption
on surfaces, and ion–ion interactions on the response of confined electrolyte solutions to …

Coulomb interaction, following an inverse-square force-law, quantifies the amount of force
between two stationary and electrically charged particles. The long-range nature of …

We study the charge induced in a Thomas–Fermi metal by an ion in vacuum, using an
atomistic description employed in constant-potential molecular dynamics simulations, and …

Accurate simulations of a condensed system of ions or polar molecules are concerned with
proper handling of the involved electrostatics. For such a Coulomb system at a charged …

We have developed an accurate and efficient method for molecular dynamics simulations of
charged particles confined by planar dielectric interfaces. The algorithm combines the image …

The random batch Ewald (RBE) is an efficient and accurate method for molecular dynamics
(MD) simulations of physical systems at the nano/microscale. The method shows great …

Polyelectrolyte (PE) adsorption plays a pivotal role in tailoring surface properties, finding
diverse applications across scientific and industrial domains. In aqueous environments …

We implement two recently developed fast Coulomb solvers, HSMA3D (Zhao et
al.(2018)[49]) and HSMA2D (Liang et al.(2020)[50]), into a new user package HSMA for the …

Understanding the structural response of weak polyelectrolyte brushes upon external stimuli
is crucial for their applications ranging from modifying surface properties to the development …

Dielectric interfaces are crucial to the behavior of charged membranes, from graphene to
synthetic and biological lipid bilayers. Understanding electrolyte behavior near these …