Related papers: A posteriori error estimator for adaptive local ba…
Inverse problems use physical measurements along with a computational model to estimate the parameters or state of a system of interest. Errors in measurements and uncertainties in the computational model lead to inaccurate estimates. This…
We derive a residual-based $hp$-a posteriori error estimator for hybrid high-order (HHO) methods on simplicial meshes applied to the biharmonic problem posed on two- and three-dimensional polytopal Lipschitz domains. The a posteriori error…
We present an a posteriori error analysis for one-dimensional random hyperbolic systems of conservation laws. For the discretization of the random space we consider the Non-Intrusive Spectral Projection method, the spatio-temporal…
In this paper, we derive an a-posteriori error indicator for the Generalized Multiscale Finite Element Method (GMsFEM) framework. This error indicator is further used to develop an adaptive enrichment algorithm for the linear elliptic…
The nonconforming triangular piecewise quadratic finite element space by Fortin and Soulie can be used for the displacement approximation and its combination with discontinuous piecewise linear pressure elements is known to constitute a…
We derive globally reliable a posteriori error estimators for a PDE-constrained optimization problem involving linear models in fluid dynamics as state equation; control constraints are also considered. The corresponding local error…
The constrained electron density method of embedding a Kohn-Sham system in a substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454 (1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993)) is…
This work focuses on the development of a posteriori error estimates for fourth-order, elliptic, partial differential equations. In particular, we propose a novel algorithm to steer an adaptive simulation in the context of Kirchhoff plates…
We prove new a posteriori error estimates for surface finite element methods (SFEM). Surface FEM approximate solutions to PDE posed on surfaces. Prototypical examples are elliptic PDE involving the Laplace-Beltrami operator. Typically the…
A framework for performing dynamic mesh adaptation with the discontinuous Galerkin method (DGM) is presented. Adaptations include modifications of the local mesh step size (h-adaptation) and the local degree of the approximating polynomials…
This work derives a posteriori error estimate of polygonal finite element methods based on Wachspress barycentric coordinates. In particular, we prove that the classical residual-based a posteriori error estimator is both an upper and lower…
This paper is concerned with the analysis and implementation of robust finite element approximation methods for mixed formulations of linear elasticity problems where the elastic solid is almost incompressible. Several novel a posteriori…
Based on the auxiliary subspace techniques, a hierarchical basis a posteriori error estimator is proposed for the Stokes problem in two and three dimensions. For the error estimator, we need to solve only two global diagonal linear systems…
We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn-Sham density-functional theory (DFT). To this end, we develop an…
Residual-based a~posteriori error estimators are derived for the modified Morley FEM, proposed by Wang, Xu, Hu [J. Comput. Math, 24(2), 2006], for the singularly perturbed biharmonic equation and the nonlinear von K\'arm\'an equations. The…
We propose and analyze an a posteriori error estimator for a PDE-constrained optimization problem involving a nondifferentiable cost functional, fractional diffusion, and control-constraints. We realize fractional diffusion as the…
In this paper, we propose and analyze a gradient flow based Kohn-Sham density functional theory. First, we prove that the critical point of the gradient flow based model can be a local minimizer of the Kohn-Sham total energy. Then we apply…
The optimized-effective-potential (OEP) method is a special technique to construct local Kohn-Sham potentials from general orbital-dependent energy functionals. In a recent publication [M. Betzinger, C. Friedrich, S. Bl\"ugel, A. G\"orling,…
We study the accuracy of Kohn-Sham density functional theory (DFT) for warm- and hot-dense matter (WDM and HDM). Specifically, considering a wide range of systems, we perform accurate ab initio molecular dynamics simulations with…
A posteriori error estimates are constructed for the three-field variational formulation of the Biot problem involving the displacements, the total pressure and the fluid pressure. The discretization under focus is the…