The interfaces of neat water and aqueous solutions play a prominent role in many
technological processes and in the environment. Examples of aqueous interfaces are …

Frozen water has a quasi-liquid layer at its surface that exists even well below the bulk
melting temperature; the formation of this layer is termed premelting. The nature of the …

Ice surfaces are closely relevant to many physical and chemical properties, such as melting,
freezing, friction, gas uptake and atmospheric reaction,,,,,,–. Despite extensive experimental …

Water/solid interfaces are relevant to a broad range of physicochemical phenomena and
technological processes such as corrosion, lubrication, heterogeneous catalysis and …

From a glass of water to glaciers in Antarctica, water–air and ice–air interfaces are abundant
on Earth. Molecular-level structure and dynamics at these interfaces are key for …

Water ice is one of the most abundant materials in dense molecular clouds and in the outer
reaches of protoplanetary disks. In contrast to other materials (eg, silicates), water ice is …

Water adsorption at metal surfaces is governed by a subtle balance between water–water
hydrogen bonding and water–metal interactions, which together determine the stability of …

The first principles methods, density-functional theory and quantum Monte Carlo, have been
used to examine the balance between van der Waals (vdW) forces and hydrogen bonding in …

Inspired by the extremely low contact angle hysteresis and excellent hydrophobic and self-
lubricating properties of Nepenthes, many researchers have designed slippery liquid …

Density-functional theory (DFT) has been widely used to study water and ice for at least 20
years. However, the reliability of different DFT exchange-correlation (xc) functionals for water …