Related papers: On a molecular based Q-tensor model for liquid cry…
We describe a classical thermodynamic model that reproduces the main features of the solid hydrogen phase diagram. In particular, we show how the general structure types that are found by electronic structure calculations and the quantum…
In this Letter, we analyze the quantum dynamics of the perceptron model: a particle is constrained on a $N$-dimensional sphere, with $N\to \infty$, and subjected to a set of randomly placed hard-wall potentials. This model has several…
Using methods of kinetic theory and liquid state theory we propose a description of the non-equilibrium behavior of molecular fluids which takes into account their microscopic structure and thermodynamic properties. The present work…
We show that the semi-implicit time discretization approaches previously introduced for multilayer shallow water models for the barotropic case can be also applied to the variable density case with Boussinesq approximation. Furthermore,…
A dynamic wetting problem is studied for a moving thin fiber inserted in fluid and with a chemically inhomogeneous surface. A reduced model is derived for contact angle hysteresis by using the Onsager principle as an approximation tool. The…
Consideration is given to the effects of inhomogeneous shear flow (both regular and chaotic) on nematic liquid crystals in a planar geometry. The Landau--de Gennes equation coupled to an externally-prescribed flow field is the basis for the…
This article is concerned with the rigorous connections between the inertial Qian--Sheng model and the Ericksen--Leslie model for the liquid crystal flow, under a more general condition of coefficients. More specifically, in the framework…
This paper is concerned with the rigorous analysis of a recently proposed model of Zheng et. al. for describing nematic liquid crystals within the dense regime, with the orientation distribution function as the variable. A key feature of…
We study the existence, regularity and so-called `strict physicality' of weak solutions of a coupled Navier-Stokes Q-tensor system which is proposed as a model for the incompressible flow of nematic liquid crystal materials. An important…
Direct numerical simulation of microscale fluid--structure interactions in multicomponent and multiphase flows requires methods that can represent moving boundaries together with fields constrained to evolving interfaces. Diffuse-domain…
Given recipe of qualitative, kinetic modelling by geometric methods of three-dimensional dendritic crystals. Characteristic features of the perturbations appearing on the surface of a spherical body, leading to different scenarios of the…
In this work a density dependent quark model is revisited, its thermodynamic consistency checked and the stability window for absolutely stable quark matter obtained. The hypotheses of both pure quark matter with equal quark chemical…
Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…
In recent years, machine learning models like DALL-E, Craiyon, and Stable Diffusion have gained significant attention for their ability to generate high-resolution images from concise descriptions. Concurrently, quantum computing is showing…
We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…
The diffusion model has gained popularity in vision applications due to its remarkable generative performance and versatility. However, high storage and computation demands, resulting from the model size and iterative generation, hinder its…
This paper explores the application of tensor networks (TNs) to the simulation of material deformations within the framework of linear elasticity. Material simulations are essential computational tools extensively used in both academic…
Wang and Landau proposed recently, a simple and flexible non-Boltzmann Monte Carlo method for estimating the density of states, from which the macroscopic properties of a closed system can be calculated. They demonstrated their algorithm by…
We propose a nonlocal model for surface tension. This model, in combination with the Landau-Lifshitz-Navier-Stokes equations, describes mesoscale features of the multiphase flow, including the static (pressure) tensor and curvature…
We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…