Related papers: Partial-moment minimum-entropy models for kinetic …
Understanding electron energy dynamics in low-temperature plasmas such as capacitively coupled plasmas (CCPs), including energy absorption, conversion, transport, and dissipation, is essential for interpreting discharge physics and process…
To tackle the strong multi-scale problem in the quench simulation of superconducting accelerator magnets, this work proposes a hybrid numerical method which uses two-dimensional first-order finite-elements in the magnet cross-section and…
The main purpose of this paper is to present a new corrected decoupled scheme combined with a spatial finite volume method for chemotaxis models. First, we derive the scheme for a parabolic-elliptic chemotaxis model arising in embryology.…
We present a simple method to deal with caustics in the semiclassical approximation to the thermal density matrix of a particle moving on the line. For simplicity, only its diagonal elements are considered. The only ingredient we require is…
We apply to a liquid of linear molecules the semischematic mode-coupling model, previously introduced to describe the center of mass (COM) slow dynamics of a network-forming molecular liquid. We compare the theoretical predictions and…
We introduce a numerical scheme to approximate a quasi-linear hyperbolic system which models the movement of cells under the influence of chemotaxis. Since we expect to find solutions which contain vacuum parts, we propose an upwinding…
In this paper, we study an adaptive finite element method for multiple eigenvalue problems of a class of second order elliptic equations. By using some eigenspace approximation technology and its crucial property which is also presented in…
The macroscopic behavior of the solution of a coupled system of partial differential equations arising in the modeling of reaction-diffusion processes in periodic porous media is analyzed. Our mathematical model can be used for studying…
We propose a method for efficiently coupling the finite element method with atomistic simulations, while using molecular dynamics or kinetic Monte Carlo techniques. Our method can dynamically build an optimized unstructured mesh that…
In this paper, we study an adaptive finite element method for a class of a nonlinear eigenvalue problems that may be of nonconvex energy functional and consider its applications to quantum chemistry. We prove the convergence of adaptive…
We introduce a quasi-equilibrium formalism in the theory of liquids in order to obtain a set of coarse grained long time dynamical equations for the two point density correlation functions. Our scheme allows to use typical approximations…
In this paper we develop a numerical scheme for approximating a $d$-dimensional chemotaxis-Navier-Stokes system, $d=2,3$, modeling cellular swimming in incompressible fluids. This model describes the chemotaxis-fluid interaction in cases…
We derive a fluid-dynamic model for electron transport near a Dirac point in graphene. The derivation is based on the minimum entropy principle, which is exploited in order to close fluid-dynamic equations for quantum mixed states. To this…
Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…
This paper aims to develop numerical approximations of the Keller--Segel equations that mimic at the discrete level the lower bounds and the energy law of the continuous problem. We solve these equations for two unknowns: the organism (or…
This paper discusses new simulation algorithms for stochastic chemical kinetics that exploit the linearity of the chemical master equation and its matrix exponential exact solution. These algorithms make use of various approximations of the…
We consider the numerical approximation of a system of partial differential equations involving a nonlinear Schr\"odinger equation coupled with a hyperbolic conservation law. This system arises in models for the interaction of short and…
In this paper we present a procedure to integrate, up to quadratures, the matching conditions of the energy shaping method. We do that in the context of underactuated Hamiltonian systems defined by simple Hamiltonian functions. For such…
Mesh adaptation for finite element approximation is a procedure used in numerous applications. The use of thin and long anisotropic triangles improves the efficiency of the procedure. When piecewise linear finite elements are used, the…
This work presents neural network based minimal entropy closures for the moment system of the Boltzmann equation, that preserve the inherent structure of the system of partial differential equations, such as entropy dissipation and…