Related papers: Efficient Real Space Solution of the Kohn-Sham Equ…
The Kohn-Sham method uses a single model system, and corrects it by a density functional the exact user friendly expression of which is not known and is replaced by an approximated, usable, model. We propose to use instead more than one…
In this paper we analyse the convergence properties of V-cycle multigrid algorithms for the numerical solution of the linear system of equations arising from discontinuous Galerkin discretization of second-order elliptic partial…
In this paper, a novel multigrid method based on Newton iteration is proposed to solve nonlinear eigenvalue problems. Instead of handling the eigenvalue $\lambda$ and eigenfunction $u$ separately, we treat the eigenpair $(\lambda, u)$ as…
A multilevel correction scheme is proposed to solve defective and nodefective of nonsymmetric partial differential operators by the finite element method. The method includes multi correction steps in a sequence of finite element spaces. In…
The solution to the Poisson equation arising from the spectral element discretization of the incompressible Navier-Stokes equation requires robust preconditioning strategies. One such strategy is multigrid. To realize the potential of…
In this work, the existence, uniqueness and regularity of solutions to the time-dependent Kohn-Sham equations are investigated. The Kohn-Sham equations are a system of nonlinear coupled Schr\"odinger equations that describe multi-particle…
We propose an unconditionally energy-stable, orthonormality-preserving, component-wise splitting iterative scheme for the Kohn-Sham gradient flow based model in the electronic structure calculation. We first study the scheme discretized in…
We present a robust and efficient multigrid method for single-patch isogeometric discretizations using tensor product B-splines of maximum smoothness. Our method is based on a stable splitting of the spline space into a large subspace of…
For a wide class of polynomially nonlinear systems of partial differential equations we suggest an algorithmic approach to the s(trong)-consistency analysis of their finite difference approximations on Cartesian grids. First we apply the…
The paper proposes a novel hybrid method for solving equilibrium problems and fixed point problems. By constructing specially cutting-halfspaces, in this algorithm, only an optimization program is solved at each iteration without the…
The approximate solution of the Cauchy problem for second-order evolution equations is performed, first of all, using three-level time approximations. Such approximations are easily constructed and relatively uncomplicated to investigate…
Accurate modeling of the electronic structure of warm dense matter is a challenging problem whose solution would allow a better understanding of material properties like equation of state, opacity, and conductivity, with resulting…
Multigrid has become a popular method for solving some of the most challenging real-world computational problems, such as computational fluid dynamics (CFD). The reason for this is the very good scaling properties of multigrid, which is…
The heterogeneous multi-scale method (HMM) is a general strategy for dealing with problems involving multi-scales, with multi-physics, using multi-grids. It not only unifies several existing multi-scale methods, but also provide a…
The problem of finding the solution of Partial Differential Equations (PDEs) plays a central role in modeling real world problems. Over the past years, Multigrid solvers have showed their robustness over other techniques, due to its high…
Numerical methods for the transmission eigenvalue problems are hot topics in recent years. Based on the work of Lin and Xie [Math. Comp., 84(2015), pp. 71-88], we build a multigrid method to solve the problems. With our method, we only need…
We study efficient simulation of steady state for rarefied gas flow, which is modeled by the Boltzmann equation with BGK-type collision term. A nonlinear multigrid solver is proposed to resolve the efficiency issue by the following…
We design and investigate efficient multigrid solvers for multiphase Stokes problems discretised via mixed-degree local discontinuous Galerkin methods. Using the template of a standard multigrid V-cycle, we develop a smoother analogous to…
This paper presents a numerical method for variable coefficient elliptic PDEs with mostly smooth solutions on two dimensional domains. The PDE is discretized via a multi-domain spectral collocation method of high local order (order 30 and…
Inexpensive numerical methods are key to enable simulations of systems of a large number of particles of different shapes in Stokes flow. Several approximate methods have been introduced for this purpose. We study the accuracy of the…