DOE OSTI · 1377808
BGK-MD, Version 1.0
Abstract
The software implements a heterogeneous multiscale method (HMM), which involves solving a classical molecular dynamics (MD) problem and then computes the entropy production in order to compute the relaxation times towards equilibrium for use in a Bhatnagar-Gross-Krook (BGK) solver.
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Haack, Jeffrey, Shohet, Gil. 2016-12-02. BGK-MD, Version 1.0. https://www.osti.gov/biblio/1377808
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