The recent random batch Ewald algorithm, originating from a stochastic approximation,
performs 1 order of magnitude faster than the mainstream algorithms such as the particle …

We present a field theoretic derivation for the free energy of the electrolyte solution. A
reference system is introduced to describe non-electrostatic interactions, notably hard …

Most chemical engineering processes involve complex multiphase fluid systems, and their
evolution depends on the mechanism by which the inhomogeneous subsystems exchange …

We develop a polymer field-theoretic model that incorporates explicit treatment of
semiflexibility and polar solvents, providing a framework to determine the impact of solvent …

Dissolved ions can alter the local permittivity of water; nevertheless most theories and
simulations ignore this fact. We present a novel algorithm for treating spatial and temporal …

We develop a modified Poisson--Nernst--Planck model which includes both the long-range
Coulomb and short-range hard-sphere correlations in its free energy functional such that the …

We theoretically investigate an electric-field-driven system of charged spheres as a primitive
model of concentrated electrolytes under an applied electric field. First, we provide a unified …

We derive a set of modified Poisson--Nernst--Planck (PNP) equations for ion transport from
the variation of the free energy functional which includes the many-body Coulomb …

Understanding the properties of charge dynamics is crucial to many practical applications,
such as electrochemical energy devices and transmembrane ion channels. This work …

The Poisson--Nernst--Planck (PNP) equations have been widely applied to describe ionic
transport in ion channels, nanofluidic devices, and many electrochemical systems. Despite …