GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation

Bartosz Kohnke, Thomas R. Ullmann, Andreas Beckmann, Ivo Kabadshow, David Haensel, Laura Morgenstern, Plamen Dobrev, Gerrit Groenhof, Carsten Kutzner, Berk Hess, Holger Dachsel, Helmut Grubmüller. GROMEX: A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation. In Hans-Joachim Bungartz, Severin Reiz, Benjamin Uekermann, Philipp Neumann, Wolfgang E. Nagel, editors, Software for Exascale Computing - SPPEXA 2016-2019. Volume 136 of Lecture Notes in Computational Science and Engineering, pages 517-543, Springer, 2020. [doi]

Abstract

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