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The implementation of a full electronic structure calculation code on a hybrid parallel architecture with Graphic Processing Units (GPU) is presented. The code which is on the basis of our implementation is a GNU-GPL code based on…

Graph Convolutional Networks (GCNs) have emerged as the state-of-the-art deep learning model for representation learning on graphs. It is challenging to accelerate training of GCNs, due to (1) substantial and irregular data communication to…

分布式、并行与集群计算 · 计算机科学 2020-01-09 Hanqing Zeng , Viktor Prasanna

Artificial Intelligence (AI) applications, such as Large Language Models, are primarily driven and executed by Graphics Processing Units (GPUs). These GPU programs (kernels) consume substantial amounts of energy, yet software developers…

软件工程 · 计算机科学 2026-01-21 Saurabhsingh Rajput , Alexander Brandt , Vadim Elisseev , Tushar Sharma

Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their thermal transport behaviors. These properties also impact…

Ab initio based accurate simulation of phonon-assisted optical spectra of semiconductors at finite temperatures remains a formidable challenge, as it requires large supercells for phonon sampling and computationally expensive high-accuracy…

材料科学 · 物理学 2025-05-07 Qiangqiang Gu , Shishir Kumar Pandey , Zhanghao Zhouyin

Polarized Resonant Soft X-ray scattering (P-RSoXS) has emerged as a powerful synchrotron-based tool that combines principles of X-ray scattering and X-ray spectroscopy. P-RSoXS provides unique sensitivity to molecular orientation and…

Hardware acceleration has emerged as a key research topic for supporting computationally intensive signal processing and artificial intelligence applications in 6G research and development studies. This paper presents an RF Network on Chip…

信号处理 · 电气工程与系统科学 2026-05-11 A. Oguz Kislal , Osman Mert Yilmaz , Bengu Bilgic Keskin , Ibrahim Hokelek , Ali Gorcin

General Purpose computing on Graphical Processing Units (GPGPU) has resulted in unprecedented levels of speedup over its CPU counterparts, allowing programmers to harness the computational power of GPU shader cores to accelerate other…

分布式、并行与集群计算 · 计算机科学 2023-03-20 Vani Nagarajan , Milind Kulkarni

Graphics Processing Units (GPUs) are high performance co-processors originally intended to improve the use and quality of computer graphics applications. Once, researchers and practitioners noticed the potential of using GPU for general…

数值分析 · 计算机科学 2016-07-12 K. Parand , Saeed Zafarvahedian , Sayyed A. Hossayni

We describe an algorithm for computing an inverse spherical harmonic transform suitable for graphic processing units (GPU). We use CUDA and base our implementation on a Fortran90 routine included in a publicly available parallel package,…

分布式、并行与集群计算 · 计算机科学 2012-05-22 Ioan O. Hupca , Joel Falcou , Laura Grigori , Radek Stompor

Mini-batch inference of Graph Neural Networks (GNNs) is a key problem in many real-world applications. Recently, a GNN design principle of model depth-receptive field decoupling has been proposed to address the well-known issue of…

分布式、并行与集群计算 · 计算机科学 2023-01-05 Bingyi Zhang , Hanqing Zeng , Viktor Prasanna

The development of exascale and post-exascale HPC and AI systems integrates thousands of CPUs and specialized accelerators, making energy optimization critical as power costs rival hardware expenses. To reduce consumption, frequency and…

分布式、并行与集群计算 · 计算机科学 2025-02-28 Daniel Velicka , Ondrej Vysocky , Lubomir Riha

Graph-based ANNS algorithms have gained increasing research interest and market adoption due to their efficiency and accuracy in retrieval. Existing approaches primarily rely on CPUs for graph index construction and retrieval, but this…

数据库 · 计算机科学 2026-05-12 Lan Lu , Peiqi Yin , Isaac Yang , Tao Luo , Hua Fan , Wenchao Zhou , Feifei Li , Boon Thau Loo

Graphics Processing Units (GPUs) have become an integral part of High-Performance Computing to achieve an Exascale performance. The main goal of application developers of GPU is to tune their code extensively to obtain optimal performance,…

分布式、并行与集群计算 · 计算机科学 2023-05-04 Gargi Alavani , Santonu Sarkar

We present a multi-GPU extension of the 3D Gaussian Splatting (3D-GS) pipeline for scientific visualization. Building on previous work that demonstrated high-fidelity isosurface reconstruction using Gaussian primitives, we incorporate a…

分布式、并行与集群计算 · 计算机科学 2025-09-08 Mengjiao Han , Andres Sewell , Joseph Insley , Janet Knowles , Victor A. Mateevitsi , Michael E. Papka , Steve Petruzza , Silvio Rizzi

Networks of interconnected resistors, springs and beams, or pores are standard models of studying scalar and vector transport processes in heterogeneous materials and media, such as fluid flow in porous media, and conduction, deformations,…

计算物理 · 物理学 2019-08-12 Hassan Dashtian , Muhammad Sahimi

We present a solution of sparse alternating current optimal power flow (ACOPF) analysis on graphical processing unit (GPU). In particular, we discuss the performance bottlenecks and detail our efforts to accelerate the linear solver, a core…

计算工程、金融与科学 · 计算机科学 2023-08-21 Kasia Swirydowicz , Nicholson Koukpaizan , Shrirang Abhyankar , Slaven Peles

Leveraging Graphics Processing Units (GPUs) to accelerate scientific software has proven to be highly successful, but in order to extract more performance, GPU programmers must overcome the high latency costs associated with their use. One…

分布式、并行与集群计算 · 计算机科学 2023-07-03 Jacob Faibussowitsch , Mark F. Adams , Richard Tran Mills , Stefano Zampini , Junchao Zhang

While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…

介观与纳米尺度物理 · 物理学 2020-03-05 Xiaokun Gu , Shouhang Li , Hua Bao

Ultrafast thermal transport in low-dimensional materials challenges traditional diffusive models due to reduced scattering, strong electron-phonon coupling, and pronounced non-equilibrium effects. To address these complexities, we extend…

介观与纳米尺度物理 · 物理学 2025-12-01 Houssem Rezgui , Chuang Zhang , Clivia Sotomayor-Torres