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It is shown that it is now possible to include van der Waals interactions via a nonempirical implementation of density functional theory to describe the correlation energy in electronic structure calculations on infinite systems of no…

Materials Science · Physics 2009-11-11 Svetla D. Chakarova Kack , Elsebeth Schroder , Bengt I. Lundqvist , David C. Langreth

Compounds with two-dimensional (2D) layers of magnetic ions weakly connected by van der Waals bonding offer routes to enhance quantum behavior, stimulating both fundamental and applied interest. CrPS4 is one such magnetic van der Waals…

Strongly Correlated Electrons · Physics 2020-07-07 S. Calder , A. V. Haglund , Y. Liu , D. M. Pajerowski , H. B. Cao , T. J. Williams , V. O. Garlea , D. Mandrus

In addition to a plethora of emergent phenomena, the spatial topology of optical vortices enables an array of applications spanning communications to quantum photonics. Nonlinear optics is essential in this context, providing access to an…

Numerical methods for contact mechanics are of great importance in engineering applications, enabling the prediction and analysis of complex surface interactions under various conditions. In this work, we propose an energy-based…

Computational Engineering, Finance, and Science · Computer Science 2025-01-31 Jinshuai Bai , Zhongya Lin , Yizheng Wang , Jiancong Wen , Yinghua Liu , Timon Rabczuk , YuanTong Gu , Xi-Qiao Feng

Two dimensional van der Waals heterostructures (2D are of significant interest due to their intriguing physical properties that are critically defined by the constituent monolayers and their interlayer coupling . However, typical inorganic…

Stacking and twisting 2D van der Waals (vdW) layers have become versatile platforms to tune electron correlation. These platforms rely on exfoliating vdW materials down to a single and few vdW layers. We calculate the intrinsic…

Van der Waals interactions are ubiquitous and they play an important role for the stability of materials. Current understanding of this type of coupling is based on linear response theory, while optical nonlinearities are rarely considered…

Materials Science · Physics 2024-08-27 Dai-Nam Le , Pablo Rodriguez-Lopez , Lilia M. Woods

As a first step towards a microscopic understanding of the effective interaction between colloidal particles suspended in a solvent we study the wetting behavior of one-component fluids at spheres and fibers. We describe these phenomena…

Condensed Matter · Physics 2015-06-25 T. Bieker , S. Dietrich

We study the interplay between long-range electron-phonon and electron-electron interactions in electrostatically doped two-dimensional semiconductors, including interlayer couplings in van der Waals heterostructures. We evaluate the…

Mesoscale and Nanoscale Physics · Physics 2026-04-03 Francesco Macheda , Thibault Sohier

Nowadays, pre-trained encoders are widely used in medical image segmentation due to their strong capability in extracting rich and generalized feature representations. However, existing methods often fail to fully leverage these features,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-29 Xiaolin Gou , Chuanlin Liao , Jizhe Zhou , Fengshuo Ye , Yi Lin

Van der Waals heterostructures have been used to tailor atomic layers into various artificial materials through interactions at heterointerfaces. The interplay between the band gap created by the band folding of the interfacial potential…

The scientific community has witnessed tremendous expansion of research on layered (i.e. two-dimensional, 2D) materials, with increasing recent focus on applications to photonics. Layered materials are particularly exciting for manipulating…

Materials Science · Physics 2020-11-17 Akshay Singh , Seong Soon Jo , Yifei Li , Changming Wu , Mo Li , R. Jaramillo

In-operando characterization of van der Waals (vdW) devices using surface-sensitive methods provides critical insights into phase transitions and correlated electronic states. Yet, integrating vdW materials in functional devices while…

Although density functional theory (DFT) in principle includes even long-range interactions, standard implementations employ local or semi-local approximations of the interaction energy and fail at describing the van der Waals interactions.…

Soft Condensed Matter · Physics 2007-05-23 S. D. Chakarova , E. Schroder

We consider low energy threshold reactive collisions of particles interacting via a van der Waals potential at long range in the presence of external confinement and give analytic formulas for the confinement modified scattering in such…

Quantum Gases · Physics 2015-06-23 Zbigniew Idziaszek , Krzysztof Jachymski , Paul S. Julienne

We provide a systematic study of the optical models for thin layers: the 3D model, the 2D model and the linearized 2D model. We show that the 2D model is applicable for layers with small optical thicknesses. Excellent agreement of the 2D…

Optics · Physics 2018-01-03 Yilei Li , Tony F. Heinz

Second-order optical processes lead to a host of applications in classical and quantum optics. With the enhancement of parametric interactions that arise due to light confinement, on-chip implementations promise very-large-scale photonic…

This mini-review discusses the recent contribution of theoretical and computational physics as well as experimental efforts to the understanding of the behavior of colloidal particles in confined geometries and at liquid crystalline…

Soft Condensed Matter · Physics 2010-11-05 Mykola Tasinkevych , Denis Andrienko

We study the van der Waals interaction of a metallic or narrow-gap semiconducting nanowire with a surface, in the regime of intermediate wire-surface distances $(v_{F}/c)L \ll d \ll L $ or $L \ll d \ll (c/v_{F})L $, where $L$ is the…

Strongly Correlated Electrons · Physics 2017-09-27 K. A. Makhnovets , A. K. Kolezhuk

We present an approach for computing long-range van der Waals (vdW) interactions between complex molecular systems and arbitrarily shaped macroscopic bodies, melding atomistic treatments of electronic fluctuations based on density…

Mesoscale and Nanoscale Physics · Physics 2017-07-05 Prashanth S. Venkataram , Jan Hermann , Alexandre Tkatchenko , Alejandro W. Rodriguez