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Finite-element (FE) discretisations have emerged as a powerful real-space alternative to large-scale Kohn-Sham density functional theory (DFT) calculations, offering systematic convergence, excellent parallel scalability, while…

Computational Physics · Physics 2025-12-11 Gourab Panigrahi , Phani Motamarri

Efficient exploitation of exascale architectures requires rethinking of the numerical algorithms used in many large-scale applications. These architectures favor algorithms that expose ultra fine-grain parallelism and maximize the ratio of…

Unfitted finite element methods, like CutFEM, have traditionally been implemented in a matrix-based fashion, where a sparse matrix is assembled and later applied to vectors while solving the resulting linear system. With the goal of…

Numerical Analysis · Mathematics 2024-04-15 Maximilian Bergbauer , Peter Munch , Wolfgang A. Wall , Martin Kronbichler

This work studies three multigrid variants for matrix-free finite-element computations on locally refined meshes: geometric local smoothing, geometric global coarsening, and polynomial global coarsening. We have integrated the algorithms…

Numerical Analysis · Mathematics 2022-04-12 Peter Munch , Timo Heister , Laura Prieto Saavedra , Martin Kronbichler

Matrix Factorization (MF) has been widely applied in machine learning and data mining. A large number of algorithms have been studied to factorize matrices. Among them, stochastic gradient descent (SGD) is a commonly used method.…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-30 Yuanhang Yu , Dong Wen , Ying Zhang , Xiaoyang Wang , Wenjie Zhang , Xuemin Lin

Traditional solution approaches for problems in quantum mechanics scale as $\mathcal O(M^3)$, where $M$ is the number of electrons. Various methods have been proposed to address this issue and obtain linear scaling $\mathcal O(M)$. One…

Mathematical Software · Computer Science 2019-07-03 Denis Davydov , Martin Kronbichler

Efficient and suitably preconditioned iterative solvers for elliptic partial differential equations (PDEs) of the convection-diffusion type are used in all fields of science and engineering. To achieve optimal performance, solvers have to…

Numerical Analysis · Mathematics 2019-07-24 Peter Bastian , Eike Hermann Müller , Steffen Müthing , Marian Piatkowski

This paper presents efficient data structures for the implementation of matrix-free finite element methods on block-structured, hybrid tetrahedral grids. It provides a complete categorization of all geometric sub-objects that emerge from…

Computational Engineering, Finance, and Science · Computer Science 2023-08-04 Nils Kohl , Daniel Bauer , Fabian Böhm , Ulrich Rüde

We present an efficient and scalable algorithm for performing matrix-vector multiplications ("matvecs") for block Toeplitz matrices. Such matrices, which are shift-invariant with respect to their blocks, arise in the context of solving…

Numerical Analysis · Mathematics 2025-07-25 Sreeram Venkat , Milinda Fernando , Stefan Henneking , Omar Ghattas

We present an algorithmic framework for matrix-free evaluation of discontinuous Galerkin finite element operators based on sum factorization on quadrilateral and hexahedral meshes. We identify a set of kernels for fast quadrature on cells…

Mathematical Software · Computer Science 2019-09-11 Martin Kronbichler , Katharina Kormann

Finite element analysis of solid mechanics is a foundational tool of modern engineering, with low-order finite element methods and assembled sparse matrices representing the industry standard for implicit analysis. We use performance models…

Numerical methods such as the Finite Element Method (FEM) have been successfully adapted to utilize the computational power of GPU accelerators. However, much of the effort around applying FEM to GPU's has been focused on high-order FEM due…

Full-wave 3D electromagnetic simulations of complex planar devices, multilayer interconnects, and chip packages are presented for wide-band frequency-domain analysis using the finite difference integration technique developed in the PETSc…

Computational Engineering, Finance, and Science · Computer Science 2017-05-25 Amir Geranmayeh

The performance of finite element solvers on modern computer architectures is typically memory bound for sufficiently large problems. The main cause for this is that loading matrix elements from RAM into CPU cache is significantly slower…

Numerical Analysis · Mathematics 2019-05-01 Denis Davydov , Jean-Paul Pelteret , Daniel Arndt , Paul Steinmann

This work investigates a variant of the conjugate gradient (CG) method and embeds it into the context of high-order finite-element schemes with fast matrix-free operator evaluation and cheap preconditioners like the matrix diagonal. Relying…

Mathematical Software · Computer Science 2022-05-19 Martin Kronbichler , Dmytro Sashko , Peter Munch

In this paper we develop the first fine-grained rounding error analysis of finite element (FE) cell kernels and assembly. The theory includes mixed-precision implementations and accounts for hardware-acceleration via matrix multiplication…

Numerical Analysis · Mathematics 2024-10-17 M. Croci , G. N. Wells

In high-order finite element analysis for elasticity, matrix-free (PA) methods are a key technology for overcoming the memory bottleneck of traditional Full Assembly (FA). However, existing implementations fail to fully exploit the special…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-14 Dali Chang , Chong Zhang , Kaiqi Zhang , Mingguan Yang , Huiyuan Li , Weiqiang Kong

In this paper, we present a finite element method (FEM) framework enhanced by an operator-adapted wavelet decomposition algorithm designed for the efficient analysis of multiscale electromagnetic problems. Usual adaptive FEM approaches,…

Computational Physics · Physics 2026-02-18 F. Şık , F. L. Teixeira , B. Shanker

Multiple-precision floating-point branch-free algorithms can significantly accelerate multi-component arithmetic implemented by combining hardware-based binary64 and binary32, particularly for triple- and quadruple-precision computations.…

Mathematical Software · Computer Science 2026-05-08 Tomonori Kouya

Matrix-free finite element implementations of massively parallel geometric multigrid save memory and are often significantly faster than implementations using classical sparse matrix techniques. They are especially well suited for…

Numerical Analysis · Mathematics 2016-08-24 Simon Bauer , Marcus Mohr , Ulrich Rüde , Jens Weismüller , Markus Wittmann , Barbara Wohlmuth
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