Convergence of Parareal Algorithm Applied on Molecular Dynamics Simulations

• Authors: PAZÚRIKOVÁ Jana; MATYSKA Luděk
• Year of publication: 2014
• Type: Article in Proceedings
• Conference: MEMICS 2014
• MU Faculty or unit: Faculty of Informatics
• web: http://www.memics.cz/2014/download/memics2014-proceedings.pdf
• Field: Informatics
• Keywords: strong scaling; parareal; molecular dynamics
• Description: We analyzed the convergence of parareal algorithm applied on molecular dynamics simulations. The results showing reasonable convergence and stability confirm that parallel-in-time computation in molecular dynamics simulations is worth further research.

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