This Review explores the dynamic behavior of water within nanopores and biological
channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside …

Water is the most abundant liquid on earth and also the substance with the largest number
of anomalies in its properties. It is a prerequisite for life and as such a most important subject …

Water is a unique solvent that is ubiquitous in biology and present in a variety of solutions,
mixtures, and materials settings. It therefore forms the basis for all molecular dynamics …

Whereas the interactions between water molecules are dominated by strongly directional
hydrogen bonds (HBs), it was recently proposed that relatively weak, isotropic van der …

Over the last forty years many computer simulations of water have been performed using
rigid non-polarizable models. Since these models describe water interactions in an …

A potential model intended to be a general purpose model for the condensed phases of
water is presented. TIP4P/2005 is a rigid four site model which consists of three fixed point …

Water and silicon are chemically dissimilar substances with common physical properties.
Their liquids display a temperature of maximum density, increased diffusivity on …

Numerous studies have identified large quantum mechanical effects in the dynamics of
liquid water. In this paper, we suggest that these effects may have been overestimated due …

According to Monthioux and Kuznetsov, 1 the first mention of carbon filaments was reported
in 18892 in a patent proposing the use of such filaments in light bulbs (interestingly enough …

In this work we present an implementation for the calculation of the melting point of ice I h
from direct coexistence of the solid-liquid interface. We use molecular dynamics simulations …