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Journal of Atomic and Molecular Physics Volume 2013: November

Subject Areas:
Publisher: Hindawi - Hindawi Publishing Corporation
ISSN: 2314-8039

Open Access

Journal Article

A Parallelization Scheme for New DPD-B Thermostats

Moga, S. A.; Dragoi, G.; Hadar, A.; Goga, N.

2013 Journal of Atomic and Molecular Physics

doi:10.1155/2013/579696

This paper presents the MPI parallelization of a new algorithm—DPD-B thermostat—for molecular dynamics simulations. The presented results are using Martini Coarse Grained Water System. It should be taken into account that molecular dynamics simulations are time consuming. In some...

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