tinyMD: Mapping molecular dynamics simulations to heterogeneous hardware using partial evaluation

Rafael Ravedutti L. Machado, Jonas Schmitt, Sebastian Eibl, Jan Eitzinger, Roland Leißa, Sebastian Hack, Arsène Pérard-Gayot, Richard Membarth, Harald Köstler. tinyMD: Mapping molecular dynamics simulations to heterogeneous hardware using partial evaluation. J. Comput. Science, 54:101425, 2021. [doi]

Authors

Rafael Ravedutti L. Machado

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Jonas Schmitt

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Sebastian Eibl

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Jan Eitzinger

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Roland Leißa

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Sebastian Hack

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Arsène Pérard-Gayot

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Richard Membarth

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Harald Köstler

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