Spectral analysis of non-equilibrium molecular dynamics

Extract the phonon modal temperature and heat flux from non-equilibrium molecular dynamics

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Version 1.0 - published on 01 Dec 2017

doi:10.4231/D3VH5CM12 cite this

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Wall Clock Time 4.65 days 199.79 days
CPU time 2.28 days 98 days
Interaction Time 8.63 hours 15.45 days