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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

The increasing complexity and scale of photonic and electromagnetic devices demand efficient and accurate numerical solvers. In this work, we develop a parallel overlapping domain decomposition method (DDM) based on the finite-difference…

Optics · Physics 2025-09-26 Zhanwen Wang , Chengnian Huang , Wangtao Lu , Yuntian Chen , Wei E. I. Sha

Recent hardware-aware matrix-free algorithms for higher-order finite-element (FE) discretized matrix-vector multiplications reduce floating point operations and data access costs compared to traditional sparse matrix approaches. This work…

Computational Physics · Physics 2024-12-31 Gourab Panigrahi , Nikhil Kodali , Debashis Panda , Phani Motamarri

We give an overview of the theoretical results for matrix block-recursive algorithms in commutative domains and present the results of experiments that we conducted with new parallel programs based on these algorithms on a supercomputer…

Symbolic Computation · Computer Science 2019-03-12 Gennadi Malaschonok , Evgeni Ilchenko

A finite element method is presented to compute time harmonic microwave fields in three dimensional configurations. Nodal-based finite elements have been coupled with an absorbing boundary condition to solve open boundary problems. This…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-05-23 Christian Vollaire , Laurent Nicolas , Alain Nicolas

The Multilevel Monte Carlo (MLMC) method has proven to be an effective variance-reduction statistical method for Uncertainty Quantification (UQ) in Partial Differential Equation (PDE) models, combining model computations at different levels…

Mathematical Software · Computer Science 2023-05-24 Santiago Badia , Jerrad Hampton , Javier Principe

Performing Bayesian inference on large spatio-temporal models requires extracting inverse elements of large sparse precision matrices for marginal variances, as well as estimating model hyperparameters. Although direct matrix factorizations…

Computation · Statistics 2026-03-17 Abylay Zhumekenov , Elias T. Krainski , Håvard Rue

We design an algorithmic framework using matrix exponentials for time-domain simulation of power delivery network (PDN). Our framework can reuse factorized matrices to simulate the large-scale linear PDN system with variable stepsizes. In…

Computational Engineering, Finance, and Science · Computer Science 2016-11-17 Hao Zhuang , Wenjian Yu , Shih-Hung Weng , Ilgweon Kang , Jeng-Hau Lin , Xiang Zhang , Ryan Coutts , Chung-Kuan Cheng

The trend towards highly parallel multi-processing is ubiquitous in all modern computer architectures, ranging from handheld devices to large-scale HPC systems; yet many applications are struggling to fully utilise the multiple levels of…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-07-19 Michael Lange , Gerard Gorman , Michele Weiland , Lawrence Mitchell , Xiaohu Guo , James Southern

The Dirichlet process (DP) is a fundamental mathematical tool for Bayesian nonparametric modeling, and is widely used in tasks such as density estimation, natural language processing, and time series modeling. Although MCMC inference…

Machine Learning · Statistics 2013-04-09 Dan Lovell , Jonathan Malmaud , Ryan P. Adams , Vikash K. Mansinghka

This paper presents an efficient technique for matrix-vector and vector-transpose-matrix multiplication in distributed-memory parallel computing environments, where the matrices are unstructured, sparse, and have a substantially larger…

Mathematical Software · Computer Science 2018-12-04 Jonathan Eckstein , Gyorgy Matyasfalvi

Among optimal hierarchical algorithms for the computational solution of elliptic problems, the Fast Multipole Method (FMM) stands out for its adaptability to emerging architectures, having high arithmetic intensity, tunable accuracy, and…

Numerical Analysis · Computer Science 2016-01-20 Huda Ibeid , Rio Yokota , Jennifer Pestana , David Keyes

The Finite Difference Time Domain (FDTD) method is a widely used numerical technique for solving Maxwell's equations, particularly in computational electromagnetics and photonics. It enables accurate modeling of wave propagation in complex…

Computation and Language · Computer Science 2025-04-15 Yifei He , Måns I. Andersson , Stefano Markidis

Fast and accurate numerical simulations are crucial for designing large-scale geological carbon storage projects ensuring safe long-term CO2 containment as a climate change mitigation strategy. These simulations involve solving numerous…

Mathematical Software · Computer Science 2024-08-08 Ryuichi Sai , Francois P. Hamon , John Mellor-Crummey , Mauricio Araya-Polo

A parallel dispersive finite-difference time-domain (FDTD) method for the modeling of three-dimensional (3-D) electromagnetic cloaking structures is presented in this paper. The permittivity and permeability of the cloak are mapped to the…

Computational Physics · Physics 2015-05-13 Yan Zhao , Yang Hao

We have developed an application and implemented parallel algorithms in order to provide a computational framework suitable for massively parallel supercomputers to study the unitary dynamics of quantum systems. We use renowned parallel…

Computational Physics · Physics 2018-11-20 Marlon Brenes , Vipin Kerala Varma , Antonello Scardicchio , Ivan Girotto

In this work, we consider alternative discretizations for PDEs which use expansions involving integral operators to approximate spatial derivatives. These constructions use explicit information within the integral terms, but treat boundary…

Computational Physics · Physics 2024-11-12 Andrew J. Christlieb , Pierson T. Guthrey , William A. Sands , Mathialakan Thavappiragasm

In this paper, we present a novel parallel dimension-independent node positioning algorithm that is capable of generating nodes with variable density, suitable for meshless numerical analysis. A very efficient sequential algorithm based on…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-04 Matjaž Depolli , Jure Slak , Gregor Kosec

The increasing number of processing elements and decreas- ing memory to core ratio in modern high-performance platforms makes efficient strong scaling a key requirement for numerical algorithms. In order to achieve efficient scalability on…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-01-14 Michael Lange , Gerard Gorman , Michele Weiland , Lawrence Mitchell , James Southern

Targeting simulations on parallel hardware architectures, this paper presents computational kernels for efficient computations in mortar finite element methods. Mortar methods enable a variationally consistent imposition of coupling…

Numerical Analysis · Mathematics 2023-08-25 Matthias Mayr , Alexander Popp
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