MD-Bench: A Generic Proxy-App Toolbox for State-of-the-Art Molecular Dynamics Algorithms

Rafael Ravedutti Lucio Machado, Jan Eitzinger, Harald Köstler, Gerhard Wellein. MD-Bench: A Generic Proxy-App Toolbox for State-of-the-Art Molecular Dynamics Algorithms. In Roman Wyrzykowski, Jack J. Dongarra, Ewa Deelman, Konrad Karczewski, editors, Parallel Processing and Applied Mathematics - 14th International Conference, PPAM 2022, Gdansk, Poland, September 11-14, 2022, Revised Selected Papers, Part I. Volume 13826 of Lecture Notes in Computer Science, pages 321-332, Springer, 2022. [doi]

Abstract

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