Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)

2011 ◽  
Vol 7 (4) ◽  
pp. 949-954 ◽  
Author(s):  
Nathan Luehr ◽  
Ivan S. Ufimtsev ◽  
Todd J. Martínez
Keyword(s):  
Integral Evaluation ◽  
Electron Repulsion Integral ◽  
Electron Repulsion ◽  
Graphical Processing Units ◽  
Dynamic Precision ◽  
Graphical Processing

Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation

2008 ◽  
Vol 4 (2) ◽  
pp. 222-231 ◽  
Author(s):  
Ivan S. Ufimtsev ◽  
Todd J. Martínez
Keyword(s):  
Quantum Chemistry ◽  
Integral Evaluation ◽  
Graphical Processing Units ◽  
Graphical Processing

A practical implementation of acoustic full waveform inversion on graphical processing units

2015 ◽  
Vol 6 (2) ◽  
pp. 5-16 ◽  
Author(s):  
Sergio Alberto Abreo Carrillo ◽  
Ana B. Ramirez ◽  
Oscar Reyes ◽  
David Leonardo Abreo-Carrillo ◽  
Herling González Alvarez
Keyword(s):  
Waveform Inversion ◽  
Practical Implementation ◽  
Full Waveform Inversion ◽  
Full Waveform ◽  
Graphical Processing Units ◽  
Graphical Processing

Using GPUs to compute fast Fourier transforms for crystal structure solution and refinement

2013 ◽  
Vol 46 (3) ◽  
pp. 594-600 ◽  
Author(s):  
ElSayed Mohamed Shalaby ◽  
Miguel Afonso Oliveira
Keyword(s):  
Crystal Structure ◽  
Fourier Transformation ◽  
Fourier Transforms ◽  
Fast Fourier Transformation ◽  
Parallel Calculations ◽  
The Past ◽  
Graphical Processing Units ◽  
Software Algorithms ◽  
Structure Solution ◽  
Graphical Processing

In the past few years, new hardware tools have become available for computing using the graphical processing units (GPUs) present in modern graphics cards. These GPUs allow efficient parallel calculations with a much higher throughput than microprocessors. In this work, fast Fourier transformation calculations used inSIR2011software algorithms have been carried out using the power of the GPU, and the speed of the calculations has been compared with that achieved using normal CPUs.

Development of an overset grid computational fluid dynamics solver on graphical processing units

2012 ◽  
Vol 58 ◽  
pp. 1-14 ◽  
Author(s):  
Kunal Soni ◽  
Dominic D.J. Chandar ◽  
Jayanarayanan Sitaraman
Keyword(s):  
Fluid Dynamics ◽  
Computational Fluid Dynamics ◽  
Overset Grid ◽  
Graphical Processing Units ◽  
Graphical Processing
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