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Molecular Simulation Volume 43, 2017 - Issue 4
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Articles

Optimisation of data locality in energy calculations for large-scale molecular dynamics simulations

Jinping LuoKey Laboratory of Thermo-Fluid Science and Engineering, Ministry of Education, School of Energy and Power Engineering, Xi’an Jiaotong University, Xi’an, P.R.China
&
Lijun LiuKey Laboratory of Thermo-Fluid Science and Engineering, Ministry of Education, School of Energy and Power Engineering, Xi’an Jiaotong University, Xi’an, P.R.ChinaCorrespondence[email protected]
Pages 284-290 | Received 24 Jul 2016, Accepted 27 Nov 2016, Published online: 21 Dec 2016

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