A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in
condensed matter, materials physics, chemistry, and biology is reviewed. The insights that …

This article is a rough, quirky overview of both the history and present state of the art of
density functional theory. The field is so huge that no attempt to be comprehensive is made …

Density functional theory (DFT) is an incredible success story. The low computational cost,
combined with useful (but not yet chemical) accuracy, has made DFT a standard technique …

Is the plasmon description within the nonlocal correlation of the van der Waals density
functional by Dion and coworkers (vdW-DF) robust enough to describe all exchange …

Using density functional theory, we systematically compute and investigate the binding
enthalpies of 14 different small molecules in a series of isostructural metal–organic …

The fundamental ideas for a nonlocal density functional theory—capable of reliably
capturing van der Waals interactions—were already conceived in the 1990s. In 2004, a …

Exploring the role of van der Waals (vdW) forces on the adsorption of molecules on
extended metal surfaces has become possible in recent years thanks to exciting …

We review the state-of-the art in dynamics calculations on the reactive scattering of H2 from
metal surfaces, which is an important model system of an elementary reaction that is …

The theoretical description of sparse matter attracts much interest, in particular for those
ground-state properties that can be described by density functional theory. One proposed …

Understanding the interaction between water and ceria surfaces is crucial in many catalytic
applications. For the clean CeO2 (111) surface, density functional theory (DFT) calculations …