That water can exist in two distinct 'glassy'forms—low-and high-density amorphous ice—
may provide the key to understanding some of the puzzling characteristics of cold and …

▪ Abstract Water plays a central role in the structures and properties of biomolecules—
proteins, nucleic acids, and membranes—and in their interactions with ligands and drugs …

In spite of much work, many of the properties of water remain puzzling. A fluctuating network
of water molecules, with localised icosahedral symmetry, is proposed to exist derived from …

The behaviour of water at mosaic hydrophilic/hydrophobic surfaces of different silicas and in
biosystems (biomacromolecules, yeast cells, wheat seeds, bone and muscular tissues) was …

We study the phase diagram of a system of spherical particles interacting in three
dimensions through a potential consisting of a strict hard core plus a linear repulsive …

Abstract The Stokes–Einstein relation has long been regarded as one of the hallmarks of
transport in liquids. It predicts that the self-diffusion constant D is proportional to (τ/T)− 1 …

Water under pressure is investigated by first principles molecular dynamics, with a focus on
the changes in hydrogen bonding and the oxygen network in the nondissociative regime. At …

We perform molecular dynamics simulations of water using the five-site transferable
interaction potential (TIP5P) model to quantify structural order in both the first shell (defined …

We study the phase behavior of systems of particles interacting through pair potentials with a
hard core plus a soft repulsive component. We consider several different forms of soft …

The structural transformations occurring to water from the low-to the high-density regimes
have been studied by classical molecular dynamics calculations. The local structure is …