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Computational chemistry / Anton / Supercomputers / Theoretical chemistry / Molecular modelling / Periodic boundary conditions / Simulation / Molecular dynamics / Chemistry / Computing


Themes in this Talk •1 Why build a molecular dynamics simulation engine? •1 Anton’s overall, systematic design –1 Amdahl’s Law in Specialized Computers –1 Putting it All Together
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Document Date: 2013-07-28 15:55:26


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Fujitsu / D E Shaw Research LLC / Amdahl / /

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AMD / /

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technology constraints / communications mechanisms / molecular systems / /

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ASIC / /

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Maryland / /

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3D Torus Interconnect •1 Co-Design algorithms / Drug discovery / ASIC / Rational Drug Design / simulation / SRAM / /

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