English
Related papers

Related papers: Efficient Coupled-Cluster Python Frameworks for Ne…

200 papers

We introduce CuPyMag, an open-source, Python-based framework for large-scale micromagnetic simulations with magnetostriction. CuPyMag solves micromagnetics with finite elements in a GPU-resident workflow in which key operations, such as…

Computational Physics · Physics 2026-03-13 Hongyi Guan , Ananya Renuka Balakrishna

Linear Programs (LPs) appear in a large number of applications and offloading them to the GPU is viable to gain performance. Existing work on offloading and solving an LP on GPU suggests that performance is gained from large sized LPs…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-09-27 Amit Gurung , Rajarshi Ray

We investigate the energy efficiency of a library designed for parallel computations with sparse matrices. The library leverages high-performance, energy-efficient Graphics Processing Unit (GPU) accelerators to enable large-scale scientific…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-16 Massimo Bernaschi , Alessandro Celestini , Pasqua D'Ambra , Giorgio Richelli

We present a novel parallel algorithm for cloth simulation that exploits multiple GPUs for fast computation and the handling of very high resolution meshes. To accelerate implicit integration, we describe new parallel algorithms for sparse…

Graphics · Computer Science 2020-08-05 Cheng Li , Min Tang , Ruofeng Tong , Ming Cai , Jieyi Zhao , Dinesh Manocha

Matrix multiplication is a foundational operation in scientific computing and machine learning, yet its computational complexity makes it a significant bottleneck for large-scale applications. The shift to parallel architectures, primarily…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-30 Mufakir Qamar Ansari , Mudabir Qamar Ansari

This work presents a GPU thread mapping approach that allows doing fast parallel stencil-like computations on discrete fractals using their compact representation. The intuition behind is to employ two GPU tensor-core accelerated thread…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Felipe A. Quezada , Cristóbal A. Navarro

We present an efficient open-source implementation of the multiparticle collision dynamics (MPCD) algorithm that scales to run on hundreds of graphics processing units (GPUs). We especially focus on optimizations for modern GPU…

Soft Condensed Matter · Physics 2018-08-01 Michael P. Howard , Athanassios Z. Panagiotopoulos , Arash Nikoubashman

This work studies the porting and optimization of the tensor network simulator QTensor on GPUs, with the ultimate goal of simulating quantum circuits efficiently at scale on large GPU supercomputers. We implement NumPy, PyTorch, and CuPy…

Quantum Physics · Physics 2022-04-14 Danylo Lykov , Angela Chen , Huaxuan Chen , Kristopher Keipert , Zheng Zhang , Tom Gibbs , Yuri Alexeev

Linear Programs (LPs) appear in a large number of applications and offloading them to a GPU is viable to gain performance. Existing work on offloading and solving an LP on a GPU suggests that there is performance gain generally on large…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-02-26 Amit Gurung , Rajarshi Ray

Massive multi-threading in GPU imposes tremendous pressure on memory subsystems. Due to rapid growth in thread-level parallelism of GPU and slowly improved peak memory bandwidth, the memory becomes a bottleneck of GPU's performance and…

Hardware Architecture · Computer Science 2019-06-17 Bing Li , Mengjie Mao , Xiaoxiao Liu , Tao Liu , Zihao Liu , Wujie Wen , Yiran Chen , Hai , Li

The scientific computing ecosystem in Python is largely confined to single-node parallelism, creating a gap between high-level prototyping in NumPy and high-performance execution on modern supercomputers. The increasing prevalence of…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-17 Aditya Bhosale , Laxmikant Kale

We describe an implementation of compressible inviscid fluid solvers with block-structured adaptive mesh refinement on Graphics Processing Units using NVIDIA's CUDA. We show that a class of high resolution shock capturing schemes can be…

Cosmology and Nongalactic Astrophysics · Physics 2014-11-20 Peng Wang , Tom Abel , Ralf Kaehler

The convex hull is a fundamental geometrical structure for many applications where groups of points must be enclosed or represented by a convex polygon. Although efficient sequential convex hull algorithms exist, and are constantly being…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-27 Alan Keith , Héctor Ferrada , Cristóbal A. Navarro

In this paper, we present a parallel computing method for the coupled-cluster singles and doubles (CCSD) in periodic systems. The CCSD in periodic systems solves simultaneous equations for single-excitation and double-excitation amplitudes.…

Strongly Correlated Electrons · Physics 2019-11-04 Takumi Yamashita , Taichi Kosugi , Yu-ichiro Matsushita , Tetsuya Sakurai

Machine learning (ML) workloads launch hundreds to thousands of short-running GPU kernels per iteration. With GPU compute throughput growing rapidly, CPU-side launch latency of kernels is emerging as a bottleneck. CUDA Graphs promise to…

Machine Learning · Computer Science 2025-12-24 Abhishek Ghosh , Ajay Nayak , Ashish Panwar , Arkaprava Basu

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

To assess how future progress in gravitational microlensing computation at high optical depth will rely on both hardware and software solutions, we compare a direct inverse ray-shooting code implemented on a graphics processing unit (GPU)…

Instrumentation and Methods for Astrophysics · Physics 2015-05-19 N. F. Bate , C. J. Fluke , B. R. Barsdell , H. Garsden , G. F. Lewis

High-rate quantum LDPC (qLDPC) codes reduce memory overhead by densely packing many logical qubits into a single block of physical qubits. Here we extend this concept to high-rate computation by constructing \emph{batched} fault-tolerant…

GPU hash tables are increasingly used to accelerate data processing, but their limited functionality restricts adoption in large-scale data processing applications. Current limitations include incomplete concurrency support and missing…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-24 Hunter McCoy , Prashant Pandey

NVIDIA's CUDA Tile (CuTile) introduces a Python-based, tile-centric abstraction for GPU kernel development that aims to simplify programming while retaining Tensor Core and Tensor Memory Accelerator (TMA) efficiency on modern GPUs. We…

Machine Learning · Computer Science 2026-04-28 Divakar Kumar Yadav , Tian Zhao , Deepak Kumar