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 …

Noncovalent van der Waals (vdW) or dispersion forces are ubiquitous in nature and
influence the structure, stability, dynamics, and function of molecules and materials …

A “best-of-both-worlds” van der Waals (vdW) density functional is constructed, seamlessly
supplementing the strongly constrained and appropriately normed (SCAN) meta …

Two-dimensional semiconductors such as MoS2 are an emerging material family with wide-
ranging potential applications in electronics, optoelectronics, and energy harvesting. Large …

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 …

An emerging class of heterostructures with unprecedented (photo) electrocatalytic behavior,
involving the combination of fullerenes and low‐dimensional (LD) nanohybrids, is currently …

The accurate description of long-range electron correlation, most prominently including van
der Waals (vdW) dispersion interactions, represents a particularly challenging task in the …

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 …

A short history of the relationships among adsorption, chemisorption, and catalysis with solid
catalysts is reviewed. A special focus is on the development of quality and descriptions …

Using local, semilocal, and van der Waals energy-corrected density-functional theory (PBE+
vdW) calculations, we present a comparative study of DNA nucleobases [guanine (G) …