We propose a general methodology for calculating the self-diffusion tensor from molecular
dynamics (MD) for a liquid with a liquid− gas or liquid− solid interface. The standard method …

Many cellular and subcellular biological processes can be described in terms of diffusing
and chemically reacting species (eg enzymes). Such reaction–diffusion processes can be …

It has been known for a long time that the rate at which reactants diffuse toward one another
in solution can affect the rate at which they react. The first person to suggest that this might …

A closed equation for probability density function (PDF) of particles coordinates and
velocities in a nonhomogeneous turbulent flow is obtained. On the base of the equation for …

The radiation (reactive or Robin) boundary condition for the diffusion equation is widely
used in chemical and biological applications to express reactive boundaries. The underlying …

Based on lectures given by one of the authors with many years of experience in teaching
stochastic processes, this textbook is unique in combining basic mathematical and physical …

In diffusion-based molecular communication (DMC), a transmitter nanomachine is
responsible for signal modulation. Thereby, the transmitter has to be able to control the …

Consider a particle whose velocity is an Ornstein-Uhlenbeck process with correlation time
ε^2, dXdt=σZε,\qquaddZdt=-Zε^2+\sqrt2ξ(t)ε, where ξ(t) is Gaussian white noise. This …

Starting with Green's functions found for normal diffusion, we construct exact time-dependent
Green's functions for a subdiffusive equation with fractional time derivatives. Green's …

The recently proposed dual simulation technique [J. Phys. Chem. B 2004, 108, 6595.], with
slight modification, was used to determine the diffusion coefficients for a variety of regions of …