Related papers: Energy Approach from $\varepsilon$-Graph to Contin…
Commonly used semilocal density functional approximations for the exchange-correlation energy fail badly when the true two dimensional limit is approached. We show, using a quasi-two-dimensional uniform electron gas in the infinite barrier…
We consider a nonlinear drift-diffusion system for multiple charged species in a porous medium in 2D and 3D with periodic microstructure. The system consists of a transport equation for the concentration of the species and Poisson's…
We consider exploration algorithms of the random sequential adsorption type both for homogeneous random graphs and random geometric graphs based on spatial Poisson processes. At each step, a vertex of the graph becomes active and its…
We consider a non acoustic chain of harmonic oscillators with the dynamics perturbed by a random local exchange of momentum, such that energy and momentum are conserved. The macroscopic limits of the energy density, momentum and the…
Perdew et al. [Phys. Rev. Lett 49, 1691 (1982)] discovered and proved two different properties of exact Kohn-Sham density functional theory (DFT): (i) The exact total energy versus particle number is a series of linear segments between…
Heat diffusion describes the process by which heat flows from areas with higher temperatures to ones with lower temperatures. This concept was previously adapted to graph structures, whereby heat flows between nodes of a graph depending on…
We consider a class of particle systems which appear in various applications such as approximation theory, plasticity, potential theory and space-filling designs. The positions of the particles on the real line are described as a global…
We study the large-population limit of interacting particle systems evolving on adaptive dynamical networks, motivated in particular by models of opinion dynamics. In such systems, agents interact through weighted graphs whose structure…
We introduce an individual-based model for fiber elements having the ability to cross-link or unlink each other and to align with each other at the cross links. We first formally derive a kinetic model for the fiber and cross-links…
Diffuse domain methods (DDMs) have gained significant attention for solving partial differential equations (PDEs) on complex geometries. These methods approximate the domain by replacing sharp boundaries with a diffuse layer of thickness…
We study diffusion and consensus dynamics in a Network of Networks model. In this model, there is a collection of sub-networks, connected to one another using a small number of links. We consider a setting where the links between networks…
We consider energy-constrained infinite-dimensional quantum channels from a given system (satisfying a certain condition) to any other systems. We show that dealing with basic capacities of these channels we may assume (accepting…
We consider a nonlocal evolution equation representing the continuum limit of a large ensemble of interacting particles on graphs forced by noise. The two principle ingredients of the continuum model are a nonlocal term and Q-Wiener process…
We analytically calculate the energy spectrum of a circular graphene quantum dot with radius R subjected to a perpendicular magnetic field B by applying the infinite-mass boundary condition. We can retrieve well-known limits for the cases…
We combine high-level theoretical and \emph{ab initio} understanding of graphite to develop a simple, parametrised force-field model of interlayer binding in graphite, including the difficult non-pairwise-additive coupled-fluctuation…
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
The brain's functional connectivity fluctuates over time instead of remaining steady in a stationary mode even during the resting state. This fluctuation establishes the dynamical functional connectivity that transitions in a non-random…
Mathematical models of motility are often based on random-walk descriptions of discrete individuals that can move according to certain rules. It is usually the case that large masses concentrated in small regions of space have a great…
We use continuum mechanics [Tao \emph{et al}, PRL{\bf 103},086401] to approximate the dynamic density response of interacting many-electron systems. Thence we develop a numerically efficient exchange-correlation energy functional based on…
We study a general asymptotic behavior of critical points of a diffused interface energy with a fixed contact angle condition defined on a domain $\Omega \subset \mathbb{R}^n$. We show that the limit varifold derived from the diffused…