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The Poisson-Boltzmann equation offers an efficient way to study electrostatics in molecular settings. Its numerical solution with the boundary element method is widely used, as the complicated molecular surface is accurately represented by…

Numerical Analysis · Mathematics 2021-08-25 Stefan D. Search , Christopher D. Cooper , Elwin van't Wout

Port-Hamiltonian systems provide a highly-structured framework for modeling of physical systems. By definition, they encode a balance equation relating energy changes to supplied and dissipated energy. Capturing this energy balance in…

Numerical Analysis · Mathematics 2026-05-15 Aashutosh Sharma , Andreas Bartel , Manuel Schaller

We introduce a neural-preconditioned iterative solver for Poisson equations with mixed boundary conditions. Typical Poisson discretizations yield large, ill-conditioned linear systems. Iterative solvers can be effective for these problems,…

Numerical Analysis · Mathematics 2025-12-16 Kai Weixian Lan , Elias Gueidon , Ayano Kaneda , Julian Panetta , Joseph Teran

In this short note, we discuss a goal-oriented multiobjective optimization problem for system performance assessment. The objective function for such optimization problem, which is usually a composite of different performance indices…

Optimization and Control · Mathematics 2020-06-12 Getachew K Befekadu

We present a new multigrid scheme for solving the Poisson equation with Dirichlet boundary conditions on a Cartesian grid with irregular domain boundaries. This scheme was developed in the context of the Adaptive Mesh Refinement (AMR)…

Computational Physics · Physics 2011-05-16 Thomas Guillet , Romain Teyssier

We use the ideas of goal-oriented error estimation and adaptivity to design and implement an efficient adaptive algorithm for approximating linear quantities of interest derived from solutions to elliptic partial differential equations…

Numerical Analysis · Mathematics 2019-03-21 Alex Bespalov , Dirk Praetorius , Leonardo Rocchi , Michele Ruggeri

The simulation of complex nonlinear engineering systems such as compressible fluid flows may be targeted to make more efficient and accurate the approximation of a specific (scalar) quantity of interest of the system. Putting aside modeling…

Numerical Analysis · Mathematics 2018-11-14 Jan Van Langenhove , Didier Lucor , Frédéric Alauzet , Anca Belme

We consider goal-oriented adaptive space-time finite-element discretizations of the regularized parabolic p-Laplace problem on completely unstructured simplicial space-time meshes. The adaptivity is driven by the dual-weighted residual…

Numerical Analysis · Mathematics 2023-06-13 B. Endtmayer , U. Langer , A. Schafelner

Electrostatic interactions play crucial roles in biophysical processes such as protein folding and molecular recognition. Poisson-Boltzmann equation (PBE)-based models have emerged as widely used in modeling these important processes.…

Computational Physics · Physics 2017-04-11 Ruxi Qi , Wesley M. Botello-Smith , Ray Luo

The Poisson--Boltzmann equation is widely used to model electrostatics in molecular systems. Available software packages solve it using finite difference, finite element, and boundary element methods, where the latter is attractive due to…

Computational Physics · Physics 2025-12-24 Michal Bosy , Matthew W. Scroggs , Timo Betcke , Erik Burman , Christopher D. Cooper

In this paper, we prove that the standard adaptive finite element method with a (modified) `maximum marking strategy' is `instance optimal' for the `total error', being the sum of the energy error and the oscillation. This result will be…

Numerical Analysis · Mathematics 2017-03-22 Lars Diening , Christian Kreuzer , Rob Stevenson

This paper presents an a-posteriori goal-oriented error analysis for a numerical approximation of the steady Boltzmann equation based on a moment-system approximation in velocity dependence and a discontinuous Galerkin finite-element (DGFE)…

Numerical Analysis · Mathematics 2017-10-11 M. R. A. Abdelmalik , E. H. van Brummelen

Removing geometrical details from a complex domain is a classical operation in computer aided design. This procedure simplifies the meshing process, and it enables faster simulations with less memory requirements. However, depending on the…

Numerical Analysis · Mathematics 2024-07-18 Annalisa Buffa , Ondine Chanon , Rafael Vázquez

We present an adaptive multilevel Monte Carlo algorithm for solving the stochastic drift-diffusion-Poisson system with non-zero recombination rate. The a-posteriori error is estimated to enable goal-oriented adaptive mesh refinement for the…

Numerical Analysis · Mathematics 2020-07-15 Amirreza Khodadadian , Maryam Parvizi , Clemens Heitzinger

This paper introduces a new computational methodology for determining a-posteriori multi-objective error estimates for finite-element approximations, and for constructing corresponding (quasi-)optimal adaptive refinements of finite-element…

Numerical Analysis · Mathematics 2016-11-23 E. H. van Brummelen , S. Zhuk , G. J. van Zwieten

We show how a posteriori goal oriented error estimation can be used to efficiently solve the subproblems occurring in a Model Predictive Control (MPC) algorithm. In MPC, only an initial part of a computed solution is implemented as a…

Optimization and Control · Mathematics 2022-03-02 Lars Grüne , Manuel Schaller , Anton Schiela

This article initiates the study of space-time adaptive mesh refinements for time-dependent boundary element formulations of wave equations. Based on error indicators of residual type, we formulate an adaptive boundary element procedure for…

Numerical Analysis · Mathematics 2025-11-07 Alessandra Aimi , Giulia Di Credico , Heiko Gimperlein , Chiara Guardasoni

This work presents a multigrid preconditioned high order immersed finite difference solver to accurately and efficiently solve the Poisson equation on complex 2D and 3D domains. The solver employs a low order Shortley-Weller multigrid…

Numerical Analysis · Mathematics 2025-03-31 James Gabbard , Andrea Paris , Wim M. van Rees

We discuss goal-oriented adaptivity in the frame of conforming finite element methods and plain convergence of the related a posteriori error estimator for different general marking strategies. We present an abstract analysis for two…

Numerical Analysis · Mathematics 2024-07-30 Valentin Helml , Michael Innerberger , Dirk Praetorius

We consider the numerical solution of Poisson's equation on structured grids using geometric multigrid with nonstandard coarse grids and coarse level operators. We are motivated by the problem of developing high-order accurate numerical…

Numerical Analysis · Mathematics 2020-08-11 Kamala Liu , William D. Henshaw