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Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…

化学物理 · 物理学 2022-10-26 Shuang Liu , Zirui Zhang , Li-Tien Cheng , Bo Li

This paper presents a Graphics Processing Units (GPUs) acceleration method of an iterative scheme for gas-kinetic model equations. Unlike the previous GPU parallelization of explicit kinetic schemes, this work features a fast converging…

计算物理 · 物理学 2020-01-08 Lianhua Zhu , Peng Wang , Songze Chen , Zhaoli Guo , Yonghao Zhang

Ptychography is a popular microscopic imaging modality for many scientific discoveries and sets the record for highest image resolution. Unfortunately, the high image resolution for ptychographic reconstruction requires significant amount…

图像与视频处理 · 电气工程与系统科学 2022-12-19 Xiao Wang , Aristeidis Tsaris , Debangshu Mukherjee , Mohamed Wahib , Peng Chen , Mark Oxley , Olga Ovchinnikova , Jacob Hinkle

It is well known since 1960s that by exploring the tensor product structure of the discrete Laplacian on Cartesian meshes, one can develop a simple direct Poisson solver with an $\mathcal O(N^{\frac{d+1}d})$ complexity in d-dimension, where…

数值分析 · 数学 2024-06-13 Xinyu Liu , Jie Shen , Xiangxiong Zhang

The current paper reports on the implementation of a numerical solver on the Graphic Processing Units (GPU) to model reactive gas mixture with detailed chemical kinetics. The solver incorporates high-order finite volume methods for solving…

流体动力学 · 物理学 2011-10-25 H. P. Le , J. -L. Cambier

In this paper we describe the research and development activities in the Center for Efficient Exascale Discretization within the US Exascale Computing Project, targeting state-of-the-art high-order finite-element algorithms for high-order…

We demonstrate a high-performance vendor-agnostic method for massively parallel solving of ensembles of ordinary differential equations (ODEs) and stochastic differential equations (SDEs) on GPUs. The method is integrated with a widely used…

Restricted solid on solid surface growth models can be mapped onto binary lattice gases. We show that efficient simulation algorithms can be realized on GPUs either by CUDA or by OpenCL programming. We consider a deposition/evaporation…

计算物理 · 物理学 2015-03-17 Henrik Schulz , Géza Ódor , Gergely Ódor , Máté Ferenc Nagy

In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users.…

分布式、并行与集群计算 · 计算机科学 2017-04-26 Uldis Locans , Andreas Adelmann , Andreas Suter , Jannis Fischer , Werner Lustermann , Gunther Dissertori , Qiulin Wang

We investigate the potential of Graphics Processing Units (GPUs) to solve large-scale nonlinear programs with a dynamic structure. Using ExaModels, a GPU-accelerated automatic differentiation tool, and the interior-point solver MadNLP, we…

最优化与控制 · 数学 2024-09-13 François Pacaud , Sungho Shin

We describe the GPU implementation of shifted or multimass iterative solvers for sparse linear systems of the sort encountered in lattice gauge theory. We provide a generic tool that can be used by those without GPU programming experience…

高能物理 - 格点 · 物理学 2011-02-16 Richard Galvez , Greg van Anders

The discontinuous Galerkin (DG) algorithm is a representative high order method in Computational Fluid Dynamics (CFD) area which possesses considerable mathematical advantages such as high resolution, low dissipation, and dispersion.…

数学软件 · 计算机科学 2022-09-07 Zhe Dai , Liang D , Yueqin Wang , Fang Wang , Li Ming , Jian Zhang

Reduced Order Modelling (ROM) has been widely used to create lower order, computationally inexpensive representations of higher-order dynamical systems. Using these representations, ROMs can efficiently model flow fields while using…

流体动力学 · 物理学 2021-10-13 Pranshu Pant , Ruchit Doshi , Pranav Bahl , Amir Barati Farimani

This paper presents a highly efficient method to obtain high-resolution, near-optimal 3D topologies optimized for minimum compliance on a standard PC. Using an implicit geometry description we derive a single-scale interpretation of optimal…

计算工程、金融与科学 · 计算机科学 2020-04-22 Jeroen Groen , Florian Stutz , Niels Aage , J. Andreas Bærentzen , Ole Sigmund

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

High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…

加速器物理 · 物理学 2020-04-15 Auralee Edelen , Nicole Neveu , Yannick Huber , Mattias Frey , Christopher Mayes , Andreas Adelmann

We introduce a distributed adaptive quadrature method that formulates multidimensional integration as a hierarchical domain decomposition problem on multi-GPU architectures. The integration domain is recursively partitioned into subdomains…

分布式、并行与集群计算 · 计算机科学 2025-11-04 Melanie Tonarelli , Simone Riva , Pietro Benedusi , Fabrizio Ferrandi , Rolf Krause

The Laue diffraction microscopy experiment uses the polychromatic Laue micro-diffraction technique to examine the structure of materials with sub-micron spatial resolution in all three dimensions. During this experiment, local…

数据分析、统计与概率 · 物理学 2022-02-01 Ke Yue , Schwarz Nicholas , Tischler Jonathan Z

It is demonstrated how the non-proprietary OpenACC standard of compiler directives may be used to compactly and efficiently accelerate the rate-determining steps of two of the most routinely applied many-body methods of electronic structure…

化学物理 · 物理学 2017-09-15 Janus Juul Eriksen

We propose a GPU-accelerated distributed optimization algorithm for controlling multi-phase optimal power flow in active distribution systems with dynamically changing topologies. To handle varying network configurations and enable…

分布式、并行与集群计算 · 计算机科学 2025-01-15 Minseok Ryu , Geunyeong Byeon , Kibaek Kim