Magnetic nanoparticles (MNPs) have been extensively explored as magnetic resonance
imaging (MRI) contrast agents. With the increasing complexity in the structure of modern …

Hydrocarbons in subsurface nanoporous media, such as shale, are promising energy
resources to compensate for the shortage of conventional reservoirs. Pore-network …

Understanding and controlling the flow of water confined in nanopores has tremendous
implications in theoretical studies and industrial applications. Here, we propose a simple …

The osmotic energy existing in fluids is recognized as a promising “blue” energy source that
can help solve the global issues of energy shortage and environmental pollution. Recently …

We present a detailed overview of classical molecular simulation studies examining the self-
diffusion coefficient of water. The self-diffusion coefficient is directly associated with the …

Supercapacitors are electrochemical devices which store energy by ion adsorption on the
surface of a porous carbon. They are characterized by high power delivery. The use of …

Water is one of the most important substances on our planet. It is ubiquitous in its solid,
liquid and vaporous states and all known biological systems depend on its unique chemical …

Water flow in nanoporous structures in shale strongly depends on water‐pore wall
interactions; specifically, water‐pore wall interactions may influence flow more than water …

Engineered suspensions of nanosized particles (nanofluids) may be characterized by
enhanced thermal properties. Due to the increasing need for ultrahigh performance cooling …

We have used ab initio molecular dynamics (AIMD) to characterize water properties using
two meta-generalized gradient approximation (meta-GGA) functionals, M06-L-D3 and B97M …