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

Recent research upon the incorporation of graphene into copper matrix composites is
reviewed in detail. An extensive account is given of the large number of processing methods …

Abstract yambo is an open source project aimed at studying excited state properties of
condensed matter systems from first principles using many-body methods. As input, yambo …

Phonons, as the most fundamental emergent bosons in condensed matter systems, play an
essential role in the thermal, mechanical, and electronic properties of crystalline materials …

Abstract 2D layered materials with atomic thickness have attracted extensive research
interest due to their unique physicochemical and electronic properties, which are usually …

Among various 2D materials, monolayer transition-metal dichalcogenide (mTMD)
semiconductors with intrinsic band gaps (1–2 eV) are considered promising candidates for …

In the past decade graphene has been one of the most studied materials for several unique
and excellent properties. Due to its two dimensional nature, physical and chemical …

The growth of high-quality single crystals of graphene by chemical vapor deposition on
copper (Cu) has not always achieved control over domain size and morphology, and the …

A methodology for semiempirical density functional optimization, using regularization and
cross-validation methods from machine learning, is developed. We demonstrate that such …

The hydrogen evolution reaction (HER) on supported MoS2 catalysts is investigated using
periodic density functional theory, employing the new BEEF-vdW functional that explicitly …