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We introduce a GPU-accelerated multigrid Gaussian-Plane-Wave density fitting (FFTDF) approach for efficient Fock builds and nuclear gradient evaluations within Kohn-Sham density functional theory, as implemented in the GPU4PySCF module of…

化学物理 · 物理学 2026-03-27 Rui Li , Xing Zhang , Qiming Sun , Yuanheng Wang , Junjie Yang , Garnet Kin-Lic Chan

Energy conservation of large data centers for high-performance computing workloads, such as deep learning with big data, is of critical significance, where cutting down a few percent of electricity translates into million-dollar savings.…

分布式、并行与集群计算 · 计算机科学 2021-04-02 Xinxin Mei , Qiang Wang , Xiaowen Chu , Hai Liu , Yiu-Wing Leung , Zongpeng Li

Complex systems often show macroscopic coherent behavior due to the interactions of microscopic agents like molecules, cells, or individuals in a population with their environment. However, simulating such systems poses several…

分布式、并行与集群计算 · 计算机科学 2026-03-11 Asif Hamid , Danish Rafiq , Shahkar Ahmad Nahvi , Mohammad Abid Bazaz

Infra-red (IR) thermography is an essential diagnostic tool for understanding the edge plasma behavior in fusion devices. In this work, we present a new in-house numerical tool, Functional Analysis of Heat Flux (FAHF), for IR thermographic…

We develop a method for modeling and simulating a class of two-phase flows consisting of two immiscible incompressible dielectric fluids and their interactions with imposed external electric fields in two and three dimensions. We first…

数值分析 · 数学 2024-07-08 Jielin Yang , Ivan C. Christov , Suchuan Dong

The paper addresses a two-temperature model for simulating compressible two-phase flow taking into account diffusion processes related to the heat conduction and viscosity of the phases. This model is reduced from the two-phase…

数值分析 · 数学 2022-07-27 Chao Zhang , Igor Menshov , Lifeng Wang , Zhijun Shen

Deep learning frameworks have often focused on either usability or speed, but not both. PyTorch is a machine learning library that shows that these two goals are in fact compatible: it provides an imperative and Pythonic programming style…

Large deep learning models have demonstrated strong ability to solve many tasks across a wide range of applications. Those large models typically require training and inference to be distributed. Tensor parallelism is a common technique…

This paper first presents a parallel solution for the Flowshop Scheduling Problem in parallel environment, and then proposes a novel load balancing strategy. The proposed Proportional Fairness Strategy (PFS) takes computational performance…

网络与互联网体系结构 · 计算机科学 2008-09-22 Zheng Sun , Xiaohong Huang , Yan Ma

Diffusion models have achieved remarkable progress in high-fidelity image, video, and audio generation, yet inference remains computationally expensive. Nevertheless, current diffusion acceleration methods based on distributed parallelism…

计算机视觉与模式识别 · 计算机科学 2026-02-26 Euisoo Jung , Byunghyun Kim , Hyunjin Kim , Seonghye Cho , Jae-Gil Lee

In order to better model complex real-world data such as multiphase flow, one approach is to develop pattern recognition techniques and robust features that capture the relevant information. In this paper, we use deep learning methods, and…

Flow Matching models achieve state-of-the-art image generation quality but incur substantial inference cost due to iterative denoising through large Transformer networks. We observe that different layer groups within a Transformer exhibit…

计算机视觉与模式识别 · 计算机科学 2026-04-21 Guandong Li

The AI hardware boom has led modern data centers to adopt HPC-style architectures centered on distributed, GPU-centric computation. Large GPU clusters interconnected by fast RDMA networks and backed by high-bandwidth NVMe storage enable…

数据库 · 计算机科学 2026-05-21 Jigao Luo , Nils Boeschen , Muhammad El-Hindi , Carsten Binnig

A computational fluid dynamics (CFD) simulation framework for fluid-flow prediction is developed on the Tensor Processing Unit (TPU) platform. The TPU architecture is featured with accelerated dense matrix multiplication, large high…

计算物理 · 物理学 2022-03-02 Qing Wang , Matthias Ihme , Yi-Fan Chen , John Anderson

This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on gpu hardware using single precision. The simulations use a vortex particle method…

数值分析 · 计算机科学 2012-10-30 R. Yokota , L. A. Barba , T. Narumi , K. Yasuoka

This article proposes a novel high-performance computing approach for the prediction of the temperature field in powder bed fusion (PBF) additive manufacturing processes. In contrast to many existing approaches to part-scale simulations,…

计算工程、金融与科学 · 计算机科学 2023-09-18 Sebastian D. Proell , Peter Munch , Martin Kronbichler , Wolfgang A. Wall , Christoph Meier

We present a massively parallel solver that accelerates DC loadflow computations for power grid topology optimization tasks. Our approach leverages low-rank updates of the Power Transfer Distribution Factors (PTDFs) to represent substation…

系统与控制 · 电气工程与系统科学 2025-01-30 Nico Westerbeck , Joost van Dijk , Jan Viebahn , Christian Merz , Dirk Witthaut

We propose a machine learning framework based on Flow Matching (FM) to identify critical properties in many-body systems efficiently. Using the 2D XY model as a benchmark, we demonstrate that a single network, trained only on configurations…

统计力学 · 物理学 2026-01-06 Qian-Rui Lee , Daw-Wei Wang

We further develop a thermal LB model for multiphase flows. In the improved model, we propose to use the FFT scheme to calculate both the convection term and external force term. The usage of FFT scheme is detailed and analyzed. By using…

软凝聚态物质 · 物理学 2015-05-20 Yanbiao Gan , Aiguo Xu , Guangcai Zhang , Yingjun Li

The cryosphere plays a significant role in Earth's climate system. Therefore, an accurate simulation of sea ice is of great importance to improve climate projections. To enable higher resolution simulations, graphics processing units (GPUs)…

分布式、并行与集群计算 · 计算机科学 2024-02-29 Robert Jendersie , Christian Lessig , Thomas Richter