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Developing theoretical understanding of complex reactions and processes at interfaces requires using methods that go beyond semilocal density functional theory to accurately describe the interactions between solvent, reactants and…

The random phase approximation (RPA) has emerged as a prominent first-principles method in material science, particularly to study the adsorption and chemisorption of small molecules on surfaces. However, its widespread application is…

Materials Science · Physics 2025-09-01 Edoardo Spadetto , Pier Herman Theodoor Philipsen , Arno Förster , Lucas Visscher

Correlation Power Analysis (CPA) is a type of power analysis based side channel attack that can be used to derive the secret key of encryption algorithms including DES (Data Encryption Standard) and AES (Advanced Encryption Standard). A…

Performance · Computer Science 2014-12-25 Hasindu Gamaarachchi , Roshan Ragel , Darshana Jayasinghe

The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of…

Materials Science · Physics 2017-07-26 Xinguo Ren , Patrick Rinke , Christian Joas , Matthias Scheffler

The direct random-phase approximation (dRPA) is used to calculate and compare atomization energies for the HEAT set and 10 selected molecules of the G2-1 set using both plane waves and Gaussian-type orbitals. We describe detailed procedures…

We report a novel application of graphics processing units (GPUs) for the purpose of accelerating the search pipelines for gravitational waves from coalescing binaries of compact objects. A speed-up of 16 fold has been achieved compared…

General Relativity and Quantum Cosmology · Physics 2010-05-25 Shin Kee Chung , Linqing Wen , David Blair , Kipp Cannon , Amitava Datta

The Graphics Processing Unit (GPU) is a powerful tool for parallel computing. In the past years the performance and capabilities of GPUs have increased, and the Compute Unified Device Architecture (CUDA) - a parallel computing architecture…

Computational Physics · Physics 2009-12-17 Ferenc Molnar , Tamas Szakaly , Robert Meszaros , Istvan Lagzi

Radiation Treatment Planning (RTP) is the process of planning the appropriate external beam radiotherapy to combat cancer in human patients. RTP is a complex and compute-intensive task, which often takes a long time (several hours) to…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-09-21 Felix Liu , Niclas Jansson , Artur Podobas , Albin Fredriksson , Stefano Markidis

We describe the use of Graphics Processing Units (GPUs) for speeding up the code NBODY6 which is widely used for direct $N$-body simulations. Over the years, the $N^2$ nature of the direct force calculation has proved a barrier for…

Instrumentation and Methods for Astrophysics · Physics 2015-06-05 Keigo Nitadori , Sverre J. Aarseth

We provide a preliminary study on utilizing GPU (Graphics Processing Unit) to accelerate computation for three simulation optimization tasks with either first-order or second-order algorithms. Compared to the implementation using only CPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-19 Jinghai He , Haoyu Liu , Yuhang Wu , Zeyu Zheng , Tingyu Zhu

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…

Computational Physics · Physics 2020-01-08 Lianhua Zhu , Peng Wang , Songze Chen , Zhaoli Guo , Yonghao Zhang

GUI Process Automation (GPA) is a lightweight but general vision-based Robotic Process Automation (RPA), which enables fast and stable process replay with only a single demo. Addressing the fragility of traditional RPA and the…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Zirui Zhao , Jun Hao Liew , Yan Yang , Wenzhuo Yang , Ziyang Luo , Doyen Sahoo , Silvio Savarese , Junnan Li

A finite-difference Micromagnetic simulation code written in MATLAB is presented with Graphics Processing Unit (GPU) acceleration. The high performance of Graphics Processing Unit (GPU) is demonstrated compared to a typical Central…

Computational Engineering, Finance, and Science · Computer Science 2015-01-30 Ru Zhu

Graphics Processing Units (GPUs) are now powerful and flexible systems adapted and used for other purposes than graphics calculations (General Purpose computation on GPU -- GPGPU). We present here a prototype to be integrated into…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-06-13 Sylvain Collange , Marc Daumas , David Defour

We present a highly parallel implementation of the cross-correlation of time-series data using graphics processing units (GPUs), which is scalable to hundreds of independent inputs and suitable for the processing of signals from "Large-N"…

Instrumentation and Methods for Astrophysics · Physics 2011-08-02 M. A. Clark , P. C. La Plante , L. J. Greenhill

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

Developing efficient GPU kernels can be difficult because of the complexity of GPU architectures and programming models. Existing performance tools only provide coarse-grained suggestions at the kernel level, if any. In this paper, we…

Performance · Computer Science 2020-11-25 Keren Zhou , Xiaozhu Meng , Ryuichi Sai , John Mellor-Crummey

Graphics Processing Unit, or GPUs, have been successfully adopted both for graphic computation in 3D applications, and for general purpose application (GP-GPUs), thank to their tremendous performance-per-watt. Recently, there is a big…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-03 Paolo Burgio

The Uniform Manifold Approximation and Projection (UMAP) algorithm has become widely popular for its ease of use, quality of results, and support for exploratory, unsupervised, supervised, and semi-supervised learning. While many algorithms…

Machine Learning · Computer Science 2021-03-30 Corey J. Nolet , Victor Lafargue , Edward Raff , Thejaswi Nanditale , Tim Oates , John Zedlewski , Joshua Patterson

Principal component analysis (PCA) is a key statistical technique for multivariate data analysis. For large data sets the common approach to PCA computation is based on the standard NIPALS-PCA algorithm, which unfortunately suffers from…

Quantitative Methods · Quantitative Biology 2008-11-10 M. Andrecut
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