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"Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs ..."

Dewi Yokelson et al. (2022)

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DOI: 10.1021/ACS.JCIM.1C01538

access: closed

type: Journal Article

metadata version: 2022-06-13

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  - https://dblp.org/rec/journals/jcisd/YokelsonTRLD22
Dewi Yokelson, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, Pavel A. Dub:
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs. J. Chem. Inf. Model. 62(10): 2378-2386 (2022)

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