相关论文: Efficient snap-to-contact computations for van der…

We use molecular dynamics (MD) to simulate an unstable homogeneous mixture of binary fluids (AB), confined in a slit pore of width $D$. The pore walls are assumed to be flat and structureless, and attract one component of the mixture (A)…

Accurate interaction potentials between microscopic components such as colloidal particles or cells are crucial to understanding a range of processes, including colloidal crystallization, bacterial colony formation, and cancer metastasis.…

Polaritonic modes in two-dimensional van der Waals materials display short in-plane wavelengths compared with light in free space. As interesting as this may look from both fundamental and applied viewpoints, such large confinement is…

In many different fields interactions between objects play a critical role in determining their behavior. Graph neural networks (GNNs) have emerged as a powerful tool for modeling interactions, although often at the cost of adding…

We investigate few-boson systems with resonant interactions in a narrow harmonic trap within an effective theory framework. The size of the model space is identified with the effective theory cutoff. In the universal regime, the…

We explore the potential of Graph Neural Networks (GNNs) to improve the performance of high-dimensional effective field theory parameter fits to collider data beyond traditional rectangular cut-based differential distribution analyses. In…

In computer vision tasks, features often come from diverse representations, domains (e.g., indoor and outdoor), and modalities (e.g., text, images, and videos). Effectively fusing these features is essential for robust performance,…

Both van der Waals corrected density functional theory and classical calculations show that the potential relief of interaction energy between layers of graphite and few-layer graphene can be described by a simple expression containing only…

Coherent nonlinear optical micro-spectroscopy is a frequently used tool in modern material science, as it is sensitive to many different local observables, which comprise, among others, crystal symmetry and vibrational properties. The…

The most widely-used density functionals for the exchange-correlation energy are inexact for one-electron systems. Their self-interaction errors can be severe in some applications. The problem is not only to correct the self-interaction…

We apply a range of density-functional-theory-based methods capable of describing van der Waals interactions to weakly bonded layered solids in order to investigate their accuracy for extended systems. The methods under investigation are…

We study minimal surfaces which arise in wetting and capillarity phenomena. Using conformal coordinates, we reduce the problem to a set of coupled boundary equations for the contact line of the fluid surface, and then derive simple…

We study a three-dimensional system of self-propelled Brownian particles interacting via the Lennard-Jones potential. Using Brownian Dynamics simulations in an elongated simulation box, we investigate the steady states of vapour-liquid…

We have proposed an efficient parameterization method for a recent variant of the Gay-Berne potential for dissimilar and biaxial particles and demonstrated it for a set of small organic molecules. Compared to the previously proposed…

Using a density functional based interface displacement model we determine the effective interaction potential between two spherical particles which are immersed in a homogeneous fluid such as the vapor phase of a one-component substance or…

We consider stochastic systems of interacting particles or agents, with dynamics determined by an interaction kernel which only depends on pairwise distances. We study the problem of inferring this interaction kernel from observations of…

Engineering wear models are generally empirical and lack connections to the physical processes of debris generation at the nanoscale to microscale. Here, we thus analyze wear particle formation for sliding interfaces in dry contact with…

We consider the contribution of thermal capillary waves to the interaction between a fluid-fluid interface and a nearby nanoparticle. Fluctuations are described thanks to an effective interaction potential which is derived using the…

Controlling magnetism in low dimensional materials is essential for designing devices that have feature sizes comparable to several critical length scales that exploit functional spin textures, allowing the realization of low-power…

Miniaturized quantum light sources that operate directly in optical fibers are an attractive platform for optical quantum technologies. However, most miniaturized spontaneous parametric down- conversion (SPDC) sources still rely on…