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Implementing density functional theory (DFT) methods on many-core GPGPU accelerators

Bishwajit Mohan Gosswami

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Tags: Chemistry, CUDA, Density-functional theory, nVidia, Tesla C2070, Thesis

June 19, 2012 by hgpu

Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project

Xavier Andrade, Joseba Alberdi-Rodriguez, David A. Strubbe, Micael J. T. Oliveira, Fernando Nogueira, Alberto Castro, Javier Muguerza, Agustin Arruabarrena, Steven G. Louie, Alan Aspuru-Guzik, Angel Rubio, Miguel A. L. Marques

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Tags: ATI, ATI Radeon HD 5870, Data parallelism, Density-functional theory, nVidia, nVidia GeForce GTX 480, OpenCL, Optimization, Package, Physics, Tesla M2090

May 29, 2012 by hgpu

TDDFT in massively parallel computer architectures: the OCTOPUS project

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Tags: ATI, ATI Radeon HD 5870, Density-functional theory, nVidia, nVidia GeForce GTX 480, OpenCL, Package, Physics

April 12, 2012 by hgpu

Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures

Luigi Genovese, Matthieu Ospici, Thierry Deutsch, Jean F. Méhaut, Alexey Neelov, Stefan Goedecker

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Tags: Chemistry, CUDA, Density-functional theory, Molecular modeling, nVidia, Physics, Tesla S1070

November 25, 2010 by hgpu

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high performance computing on graphics processing units: hgpu.org

Implementing density functional theory (DFT) methods on many-core GPGPU accelerators

Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project

TDDFT in massively parallel computer architectures: the OCTOPUS project

Density functional theory calculation on many-cores hybrid central processing unit-graphic processing unit architectures

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Over-synchronization in GPU Programs

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Mixed-precision finite element kernels

SHMT: The Simultaneous and Heterogenous Multithreading project

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