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    IJHPCA
    2008
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    De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
    13 years 11 months ago
    De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
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    We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
    Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, ...
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