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Electrostatic interactions play crucial roles in biophysical processes such as protein folding and molecular recognition. Poisson-Boltzmann equation (PBE)-based models have emerged as widely used in modeling these important processes.…

Computational Physics · Physics 2017-04-11 Ruxi Qi , Wesley M. Botello-Smith , Ray Luo

The escalating adoption of diffusion models for applications such as image generation demands efficient parallel inference techniques to manage their substantial computational cost. However, existing diffusion parallelism inference schemes…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-16 Han Liang , Jiahui Zhou , Zicheng Zhou , Xiaoxi Zhang , Xu Chen

The progress made in accelerating simulations of fluid flow using GPUs, and the challenges that remain, are surveyed. The review first provides an introduction to GPU computing and programming, and discusses various considerations for…

Fluid Dynamics · Physics 2014-02-04 Kyle E Niemeyer , Chih-Jen Sung

Vertex models represent confluent tissue by polygonal or polyhedral tilings of space, with the individual cell interacting via force laws that depend on both the geometry of the cells and the topology of the tessellation. This dependence on…

Biological Physics · Physics 2017-09-13 Daniel M. Sussman

We implement and analyse a sparse / indirect-addressing data structure for the Lattice Boltzmann Method to support efficient compute kernels for fluid dynamics problems with a high number of non-fluid nodes in the domain, such as in porous…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-14 Philipp Suffa , Markus Holzer , Harald Köstler , Ulrich Rüde

Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…

Instrumentation and Methods for Astrophysics · Physics 2015-06-15 Roberto Capuzzo-Dolcetta , Mario Spera

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-03 Jacob Faibussowitsch , Mark F. Adams , Richard Tran Mills , Stefano Zampini , Junchao Zhang

The goal of this work is to parallelize the multistep scheme for the numerical approximation of the backward stochastic differential equations (BSDEs) in order to achieve both, a high accuracy and a reduction of the computation time as…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-18 Lorenc Kapllani , Long Teng

Complex colloidal fluids, such as emulsions stabilized by complex shaped particles, play an important role in many industrial applications. However, understanding their physics requires a study at sufficiently large length scales while…

Soft Condensed Matter · Physics 2012-04-27 Florian Günther , Florian Janoschek , Stefan Frijters , Jens Harting

The use of reduced and mixed precision computing has gained increasing attention in high-performance computing (HPC) as a means to improve computational efficiency, particularly on modern hardware architectures like GPUs. In this work, we…

Computational Engineering, Finance, and Science · Computer Science 2025-05-28 Bálint Siklósi , Pushpender K. Sharma , David J. Lusher , István Z. Reguly , Neil D. Sandham

We consider Monte Carlo simulations of classical spin models of statistical mechanics using the massively parallel architecture provided by graphics processing units (GPUs). We discuss simulations of models with discrete and continuous…

Computational Physics · Physics 2012-07-20 Martin Weigel , Taras Yavors'kii

The suitability of cloud computing has been studied by several authors to run scientific applications. However, the unpredictable performance fluctuations in these environments hinders the migration of scientific applications to cloud…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-05-27 Vicent Giménez Alventosa , Germán Moltó Martínez , J. Damián Segrelles Quilis

A new homogenization approach for the simulation of multi-phase flows in heterogeneous porous media is presented. It is based on the lattice Boltzmann method and combines the grayscale with the multi-component Shan-Chen method. Thus, it…

Traditional heterogeneous parallel algorithms, designed for heterogeneous clusters of workstations, are based on the assumption that the absolute speed of the processors does not depend on the size of the computational task. This assumption…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-15 Alexey Lastovetsky , Ravi Reddy , Vladimir Rychkov , David Clarke

The Preconditioned Conjugate Gradient (PCG) method is widely used for solving linear systems of equations with sparse matrices. A recent version of PCG, Pipelined PCG, eliminates the dependencies in the computations of the PCG algorithm so…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-14 Manasi Tiwari , Sathish Vadhiyar

This paper presents a comprehensive comparison of three dominant parallel programming models in High Performance Computing (HPC): Message Passing Interface (MPI), Open Multi-Processing (OpenMP), and Compute Unified Device Architecture…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-19 Nizar ALHafez , Ahmad Kurdi

This work deals with the CPU-GPU heterogeneous code acceleration of a finite-volume CFD solver utilizing multiple CPUs and GPUs at the same time. First, a high-level description of the CFD solver called SENSEI, the discretization of SENSEI,…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-30 Weicheng Xue , Hongyu Wang , Christopher J. Roy

Many important computational problems require utilization of high performance computing (HPC) systems that consist of multi-level structures combining higher and higher numbers of devices with various characteristics. Utilizing full power…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-09-21 Paweł Rościszewski

We present LBcuda, a GPU accelerated version of LBsoft, our open-source MPI-based software for the simulation of multi-component colloidal flows. We describe the design principles, the optimization and the resulting performance as compared…

Accurately capturing the dynamic forces acting on rotors as well as their wake effects presents a significant challenge for computational fluid dynamics (CFD) due to high Reynolds numbers and a large range of spatio-temporal scales. The…

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