Massively parallel algorithm and implementation of RI-MP2 energy calculation for peta-scale many-core supercomputers.

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Understanding the many-body expansion for large systems. III. Critical role of four-body terms, counterpoise corrections, and cutoffs.The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2).

P2860

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Massively parallel algorithm and implementation of RI-MP2 energy calculation for peta-scale many-core supercomputers.

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2016 nî lūn-bûn

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Massively parallel algorithm a ...... cale many-core supercomputers.

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Massively parallel algorithm a ...... cale many-core supercomputers.

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Massively parallel algorithm a ...... cale many-core supercomputers.

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Massively parallel algorithm a ...... cale many-core supercomputers.

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Massively parallel algorithm a ...... cale many-core supercomputers.

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Massively parallel algorithm a ...... cale many-core supercomputers.

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Akira Naruse

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Takahito Nakajima

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Yukihiko Hirano

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P2860

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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

Madden-Julian Oscillation prediction skill of a new-generation global model demonstrated using a supercomputer

Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication Library.

Utilizing high performance computing for chemistry: parallel computational chemistry.

Additive effect on reductive decomposition and binding of carbonate-based solvent toward solid electrolyte interphase formation in lithium-ion battery.

MPI/OpenMP Hybrid Parallel Algorithm of Resolution of Identity Second-Order Møller-Plesset Perturbation Calculation for Massively Parallel Multicore Supercomputers.

From C60 to Infinity: Large-Scale Quantum Chemistry Calculations of the Heats of Formation of Higher Fullerenes.

Relativistic diffusion Monte Carlo method: zeroth-order regular approximation-diffusion Monte Carlo method in a spin-free formalism.

P304

2623-2633

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scholarly article

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10.1002/JCC.24491

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

P478

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

P50

Michio Katouda

P577

2016-09-16T00:00:00Z

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27634573

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Massively parallel algorithm and implementation of RI-MP2 energy calculation for peta-scale many-core supercomputers.

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P2860

P2860

Massively parallel algorithm and implementation of RI-MP2 energy calculation for peta-scale many-core supercomputers.

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P1433

P1476

P2093

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P50

P577

P698

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P2860

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P698