CP2K GPU Performance Paper #2093
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Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs
Dewi Yokelson, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, and Pavel A. Dub
J. Chem. Inf. Model. 2022, XXXX, XXX, XXX-XXX
https://doi.org/10.1021/acs.jcim.1c01538
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