Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

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Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package.Molecular simulations and visualization: introduction and overview.

P2860

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Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

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2013 nî lūn-bûn

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2013年の論文

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2013年論文

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2013年論文

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2013年論文

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2013年論文

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2013年论文

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Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

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Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

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Item

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Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

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Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

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Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

@en

Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

@nl

P1476

Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

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P2093

Chris-Kriton Skylaris

http://www.w3.org/2001/XMLSchema#string

Karl Wilkinson

http://www.w3.org/2001/XMLSchema#string

P2860

Introducing ONETEP: linear-scaling density functional simulations on parallel computers

Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics

GPU-accelerated molecular modeling coming of age

Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing units.

Nearsightedness of electronic matter

Accelerating molecular modeling applications with graphics processors.

New Multithreaded Hybrid CPU/GPU Approach to Hartree-Fock.

Uncontracted Rys Quadrature Implementation of up to G Functions on Graphical Processing Units.

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born.

Molecular Dynamics Simulations Using Graphics Processing Units.

P304

2446-2459

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scholarly article

P356

10.1002/JCC.23410

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2013-08-26T00:00:00Z

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24038140

http://www.w3.org/2001/XMLSchema#string

Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

about

P2860

P2860

Porting ONETEP to graphical processing unit-based coprocessors. 1. FFT box operations.

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P1433

P1476

P2093

P2860

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P1433

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P698