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The van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] is a promising approach for including dispersion in approximate density functional theory exchange-correlation functionals. Indeed, an…

Materials Science · Physics 2013-01-30 Jiří Klimeš , David R. Bowler , Angelos Michaelides

Quantum dot (QD) assemblies are nanostructured networks made from aggregates of QDs and feature improved charge and energy transfer efficiencies compared to discrete QDs. Using first-principles many-body perturbation theory, we…

Materials Science · Physics 2022-10-25 Sandip Aryal , Joseph Frimpong , Zhen-Fei Liu

The dispersion interaction between a pair of parallel DNA double-helix structures is investigated by means of the van der Waals density functional (vdW-DF) method. Each double-helix structure consists of an infinite repetition of one B-DNA…

Soft Condensed Matter · Physics 2013-04-09 Elisa Londero , Per Hyldgaard , Elsebeth Schroder

We study the van der Waals-London force, which is typically associated with fluctuating dipoles in atoms, in a mesoscopic circuit consisting of two inductively coupled superconducting loops. We investigate the ``inductive" van der…

Mesoscale and Nanoscale Physics · Physics 2025-12-16 Kicheon Kang

Different atomistic registry between the layers forming the inner and outer nanotubes can form one-dimensional (1D) van der Waals (vdW) moir\'e superlattices. Unlike the two-dimensional (2D) vdW moir\'e superlattices, effects of 1D vdW…

Mesoscale and Nanoscale Physics · Physics 2021-07-30 Sihan Zhao , Ryo Kitaura , Pilkyung Moon , Mikito Koshino , Feng Wang

We performed first-principles calculations aimed to investigate the role of an heteroatom like N in the chemical and the long-range van der Waals (vdW) interactions for a flat adsorption of several pi-conjugated molecules on the Cu(110)…

Materials Science · Physics 2008-11-20 N. Atodiresei , V. Caciuc , P. Lazic , S. Blugel

Radiation-matter hybridization allows atoms to serve as mediators of effective interactions between light modes and, conversely, to interact among themselves via light. Here we exploit the spatial structure of atomic ensembles to control…

Quantum Physics · Physics 2026-05-06 Carlos E. Máximo , Romain Bachelard , Tobias Donner

Cavitation refers to the sudden, unstable expansion of a defect or cavity within a material in response to applied loads, when the loads reach a critical threshold. It is widely recognized as a common failure nucleation mechanism in soft…

Soft Condensed Matter · Physics 2026-04-01 Ali Saeedi , S Chockalingam , Mrityunjay Kothari

The DFT/vdW-WF2s1 method based on the generation of localized Wannier functions, recently developed to include the van der Waals interactions in the Density Functional Theory and describe adsorption processes on metal surfaces by taking…

Chemical Physics · Physics 2016-04-06 Pier Luigi Silvestrelli , Alberto Ambrosetti

Interactions between atoms and light in optical cavities provide a means of investigating collective (many-body) quantum physics in controlled environments. Such ensembles of atoms in cavities have been proposed for studying collective…

Stacked van der Waals (vdW) heterostructures where semi-conducting two-dimensional (2D) materials are contacted by overlayed graphene electrodes enable atomically-thin, flexible electronics. We use first-principles quantum transport…

Materials Science · Physics 2017-05-24 Daniele Stradi , Nick R. Papior , Mads Brandbyge

Molecular complexes are held together via a variety of bonds, but they all share the common feature that their individual entities are in contact. In this work, we introduce and demonstrate the concept of a \textit{molecular optical bond},…

Mesoscale and Nanoscale Physics · Physics 2025-01-03 Jahangir Nobakht , André Pscherer , Jan Renger , Stephan Götzinger , Vahid Sandoghdar

Polar van der Waals (vdW) crystals that support phonon polaritons have recently attracted much attention because they can confine infrared and terahertz (THz) light to deeply subwavelength dimensions, allowing for the guiding and…

Quantum electromagnetic fluctuations induce forces between neutral particles, known as the van der Waals (vdW) and Casimir interactions. These fundamental forces, mediated by virtual photons from the vacuum, play an important role in basic…

Quantum Physics · Physics 2021-05-10 Ephraim Shahmoon , Igor Mazets , Gershon Kurizki

The investigation of 2D van der Waals (vdW) materials is a vibrant, fast moving and still growing interdisciplinary area of research. 2D vdW materials are truly 2D crystals with strong covalent in-plane bonds and weak van der Waals…

Mesoscale and Nanoscale Physics · Physics 2017-04-05 Ursula Wurstbauer , Bastian Miller , Eric Parzinger , Alexander W. Holleitner

A model for the late-time accelerated expansion of the universe is considered where a van der Waals fluid interacting with matter plays the role of dark energy. The transition towards this phase in the cosmic evolution history is discussed…

General Relativity and Quantum Cosmology · Physics 2018-03-28 E. Elizalde , M. Khurshudyan

The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new exchange-correlation functionals optPBE-vdW and vdW-DF2.…

We show how coupling an ensemble of bistable systems to a common cavity field affects the collective stochastic behavior of this ensemble. In particular, the cavity provides an effective interaction between the systems, and parametrically…

Statistical Mechanics · Physics 2024-01-24 Kalle S. U. Kansanen , Tero T. Heikkilä

Despite the potential paradigm breaking capability of microcavities to control chemical processes, the extent to which photonic devices change properties of molecular materials is still unclear, in part due to challenges in modeling hybrid…

Chemical Physics · Physics 2021-12-30 Raphael F. Ribeiro

We theoretically study a quantum destructive interference (QDI) induced photon blockade in a two-qubit driven cavity QED system with dipole-dipole interaction (DDI). In the absence of dipole-dipole interaction, we show that a QDI-induced…

Quantum Physics · Physics 2019-11-11 Chengjie Zhu , Kui Hou , Yaping Yang , Lu Deng