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20132023
most citedTackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

1.2k citations · 3.1k across the 11 of their papers we have counts for

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Showing 2017 · math.NAShow all

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math.NA2017★ 1 cited

A comparison of the Spectral Ewald and Smooth Particle Mesh Ewald methods in GROMACS

Davood Saffar Shamshirgar, Berk Hess, Anna-Karin Tornberg

The smooth particle mesh Ewald (SPME) method is an FFT based method for the fast evaluation of electrostatic interactions under periodic boundary conditions. A highly optimized imp…