相关论文: A posteriori error estimates for Schr{\"o}dinger o…

We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schr\"odinger equation is mapped onto a…

In this paper, we investigate negative eigenvalues of exactly solvable quantum models, particularly one-dimensional Hamiltonians with $\delta'$-like potentials used to represent localized dipoles. These operators arise as norm resolvent…

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 propose a cheaper version of \textit{a posteriori} error estimator from arXiv:1707.00057 for the linear second-order wave equation discretized by the Newmark scheme in time and by the finite element method in space. The new estimator…

In this paper, by means of a standard model problem, we devise an approach to computing approximate dual bounds for use in global optimization of coefficient identification in partial differential equations (PDEs) by, e.g., (spatial)…

We propose a machine learning method for computing eigenvalues and eigenfunctions of the Schr\"odinger operator on a $d$-dimensional hypercube with Dirichlet boundary conditions. The cut-off function technique is employed to construct trial…

The numerical simulation of complex physical processes requires the use of economical discrete models. This lecture presents a general paradigm of deriving a posteriori error estimates for the Galerkin finite element approximation of…

We introduce a residual-based a posteriori error estimator for a novel $hp$-version interior penalty discontinuous Galerkin method for the biharmonic problem in two and three dimensions. We prove that the error estimate provides an upper…

This paper is concerned with minimization of a fourth-order linearized Canham-Helfrich energy subject to Dirichlet boundary conditions on curves inside the domain. Such problems arise in the modeling of the mechanical interaction of…

A proof of optimal-order error estimates is given for the full discretization of the Cahn--Hilliard equation with Cahn--Hilliard-type dynamic boundary conditions in a smooth domain. The numerical method combines a linear bulk--surface…

In solid state physics, electronic properties of crystalline materials are often inferred from the spectrum of periodic Schr\"odinger operators. As a consequence of Bloch's theorem, the numerical computation of electronic quantities of…

The standard approach for finding eigenvalues and eigenvectors of matrix polynomials starts by embedding the coefficients of the polynomial into a matrix pencil, known as linearization. Building on the pioneering work of Nakatsukasa and…

We present the first systematic work for deriving a posteriori error estimates for general non-polynomial basis functions in an interior penalty discontinuous Galerkin (DG) formulation for solving eigenvalue problems associated with second…

We investigate two hedging problems in exponential L\'evy models. First, we provide an explicit representation for the F\"ollmer--Schweizer decomposition of European type options under mild conditions, which implies a closed-form expression…

In this paper, on the basis of a (Fenchel) duality theory on the continuous level, we derive an $\textit{a posteriori}$ error identity for arbitrary conforming approximations of a primal formulation and a dual formulation of variational…

We present functional-type a posteriori error estimates in isogeometric analysis. These estimates, derived on functional grounds, provide guaranteed and sharp upper bounds of the exact error in the energy norm. {Moreover, since these…

We propose a novel a posteriori error estimator for the N\'ed\'elec finite element discretization of time-harmonic Maxwell's equations. After the approximation of the electric field is computed, we propose a fully localized algorithm to…

We demonstrate how linear differential operators could be emulated by a quantum processor, should one ever be built, using the Abrams-Lloyd algorithm. Given a linear differential operator of order 2S, acting on functions…

We consider the a posteriori error analysis of fully discrete approximations of parabolic problems based on conforming $hp$-finite element methods in space and an arbitrary order discontinuous Galerkin method in time. Using an equilibrated…

In this paper, we propose a general approach for explicit a posteriori error representation for convex minimization problems using basic convex duality relations. Exploiting discrete orthogonality relations in the space of element-wise…