相关论文: A posteriori error estimator for adaptive local ba…
The practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an auxiliary noninteracting system. Yet, the…
In this paper, for the Stokes eigenvalue problem in $d$-dimensional case $(d=2,3)$, we present an a posteriori error estimate of residual type of the mixed discontinuous Galerkin finite element method using $P_{k}-P_{k-1}$ element $(k\geq…
We propose a new method, the continuous Galerkin method with globally and locally supported basis functions (CG-GL), to address the parametric robustness issues of reduced-order models (ROMs) by incorporating solution-based adaptivity with…
We present a broadly-applicable, physically-motivated first-principles approach to determining the fundamental gap of finite systems. The approach is based on using a range-separated hybrid functional within the generalized Kohn-Sham…
Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of non-interacting particles, is the work horse of the theory. The particular form of…
In this paper we introduce and analyze the residual-based a posteriori error estimation of the partially penalized immersed finite element method for solving elliptic interface problems. The immersed finite element method can be naturally…
We present an abstract framework for a posteriori error estimation for approximations of scalar parabolic evolution equations, based on elliptic reconstruction techniques [10, 9, 3, 5]. In addition to its original application (to derive…
Calculations in Kohn-Sham density functional theory crucially rely on high-quality approximations for the exchange-correlation (xc) functional. Standard local and semi-local approximations fail to predict the ionization potential (IP) and…
This paper considers the finite element solution of the boundary value problem of Poisson's equation and proposes a guaranteed em a posteriori local error estimation based on the hypercircle method. Compared to the existing literature on…
We derive a posteriori error estimate for a fully discrete adaptive finite element approximation of the stochastic Cahn-Hilliard equation with rough noise. The considered model is derived from the stochastic Cahn-Hilliard equation with…
We apply a space adaptive interior penalty discontinuous Galerkin method for solving advective Allen-Cahn equation with expanding and contracting velocity fields. The advective Allen-Cahn equation is first discretized in time and the…
Building on the successes of local kernel methods for approximating the solutions to partial differential equations (PDE) and the evaluation of definite integrals (quadrature/cubature), a local estimate of the error in such approximations…
The paper is concerned with a posteriori error bounds for a wide class of numerical schemes, for $n\times n$ hyperbolic conservation laws in one space dimension. These estimates are achieved by a "post-processing algorithm", checking that…
In this work, we develop adaptive schemes using goal-oriented error control for a highly nonlinear flow temperature model with temperature dependent density. The dual-weighted residual method for computing error indicators to steer mesh…
In this work, we analyze the residual-based a posteriori error estimation of the multi-scale cancer invasion model, which is a system of three non-stationary reaction-diffusion equations. We present the numerical results of a study on a…
Numerically solving high-dimensional random parametric PDEs poses a challenging computational problem. It is well-known that numerical methods can greatly benefit from adaptive refinement algorithms, in particular when functional…
This work studies a posteriori error estimates and their use for time-dependent acoustic scattering problems, formulated as a time-dependent boundary integral equation based on a single-layer ansatz. The integral equation is discretized by…
This article investigates residual a posteriori error estimates and adaptive mesh refinements for time-dependent boundary element methods for the wave equation. We obtain reliable estimates for Dirichlet and acoustic boundary conditions…
A novel residual-type {\it a posteriori} error analysis technique is developed for multipoint flux mixed finite element methods for flow in porous media in two or three space dimensions. The derived {\it a posteriori} error estimator for…
We derive a posteriori error estimates for a fully discrete finite element approximation of the stochastic Cahn-Hilliard equation. The a posteriori bound is obtained by a splitting of the equation into a linear stochastic partial…