1.1k citations · 4k across the 27 of their papers we have counts for
3 papers · 1 filter
A molecular perspective of water at metal interfaces
Javier Carrasco, Andrew Hodgson, Angelos Michaelides
Water/solid interfaces are relevant to a broad range of physicochemical phenomena and technological processes such as corrosion, lubrication, heterogeneous catalysis and electroche…
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
Jiří Klimeš, Angelos Michaelides
Electron dispersion forces play a crucial role in determining the structure and properties of biomolecules, molecular crystals and many other systems. However, an accurate descript…
The role of van der Waals forces in water adsorption on metals
Javier Carrasco, Jiří Klimeš, Angelos Michaelides
The interaction of water molecules with metal surfaces is typically weak and as a result van der Waals (vdW) forces can be expected to be of importance. Here we account for the sys…