The behavior of ions in liquids confined between macromolecules determines the outcome
of many nanoscale assembly processes in synthetic and biological materials such as …

METHOD The idea of the present method is to consider the electrostatic potential produced
by the plates as an external scalar field acting on all the ions inside the simulation cell. As …

For charged systems in heterogeneous dielectric media, a key obstacle for molecular
dynamics (MD) simulations is the need to solve the Poisson equation in the media. This …

The depletion force is an effective inter-particle attractive interaction that is entropically
driven by the exclusion of co-solvent molecules. For large co-solvents, such as polymers, the …

A theory is presented which allows us to accurately calculate the density profile of
monovalent and multivalent counterions in suspensions of polarizable colloids or …

We use molecular dynamics simulations of the primitive model of electrolytes to study the
ionic structure in aqueous monovalent electrolyte solutions confined by charged planar …

We present a simulation method to study electrolyte solutions in a dielectric slab geometry
using a modified 3D Ewald summation. The method is fast and easy to implement, allowing …

We present an efficient approach for simulating Coulomb systems confined by planar
polarizable surfaces. The method is based on the solution of the Poisson equation using …

We explore, using the recently developed efficient Monte Carlo simulation method, the
interaction of an anionic polyelectrolyte solution with a like-charged dielectric surface. In …

Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained
models is extremely challenging due to the need to solve the Poisson equation at every …