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cs.DC2020
Parallel Performance of ARM ThunderX2 for Atomistic Simulation Algorithms
William Robert Saunders, James Grant, Eike Hermann Müller
Atomistic simulation drives scientific advances in modern material science and accounts for a significant proportion of wall time on High Performance Computing facilities. It is im…
cs.DC2017★ 3 cited
Long range forces in a performance portable Molecular Dynamics framework
William R. Saunders, James Grant, Eike H. Müller
Molecular Dynamics (MD) codes predict the fundamental properties of matter by following the trajectories of a collection of interacting model particles. To exploit diverse modern m…