The progress in modeling of charge transport in disordered organic semiconductors on
various length scales, from atomistic to macroscopic, is reviewed. This includes evaluation of …

The process of diffusion is central to the ever increasing entropic state of the universe and is
fundamental in many branches of science and engineering. Although non-reciprocal …

Atomistic molecular dynamics (MD) simulations have been carried out to investigate the
physical properties of monolayers of monododecyl diethylene glycol (C12E2) surfactants …

A constant volume and temperature (NVT) molecular dynamics (MD) simulation has been
carried out to investigate the properties of a monolayer of monododecyl hexaethylene glycol …

We used constant pressure (P= 0.1 MPa) and temperature (T= 298 K) molecular dynamics
simulations to study the structures and dynamics of small size reverse micelles (RMs) with …

An atomistic molecular dynamics (MD) simulation has been carried out to investigate the
structural and dynamical properties of a monolayer of the anionic surfactant sodium bis (2 …

Hypothesis Diffusion in confinement is an important fundamental problem with significant
implications for applications of supported liquid phases. However, resolving the spatially …

We report the results of a molecular dynamics (MD) simulation study of solvation dynamics
associated with electronic excitation of the coumarin 343 (C343) dye at the interface of water …

It is feasible to make hydrogen separation membranes of an alloy whose elemental or phase
composition controllably varies at least in one direction. However the problem of hydrogen …

Anisotropic diffusion processes emerge in various fields such as transport in biological
tissue and diffusion in liquid crystals. In such systems, the motion is described by a diffusion …