000178568 001__ 178568
000178568 005__ 20181203022747.0
000178568 0247_ $$2doi$$a10.4208/cicp.140810.021210a
000178568 02470 $$2ISI$$a000298764000015
000178568 037__ $$aARTICLE
000178568 245__ $$aParallel Molecular Dynamics with Irregular Domain Decomposition
000178568 260__ $$c2011
000178568 269__ $$a2011
000178568 336__ $$aJournal Articles
000178568 520__ $$aThe spatial domain of Molecular Dynamics simulations is usually a regular box that be easily divided in subdomains for parallel processing. Recent efforts aimed at simulating complex biological systems, like the blood flow inside arteries, require the execution of Parallel Molecular Dynamics (PMD) in vessels that have, by nature, an irregular shape. In those cases, the geometry of the domain becomes an additional input parameter that directly influences the outcome of the simulation. In this paper we discuss the problems due to the parallelization of MD in complex geometries and show an efficient and general method to perform MD in irregular domains.
000178568 6531_ $$aMolecular dynamics
000178568 6531_ $$airregular domain decomposition
000178568 6531_ $$aparallel algorithms
000178568 6531_ $$ahemodynamics
000178568 6531_ $$aScale
000178568 700__ $$aBisson, Mauro$$uUniv Roma La Sapienza, Dept Comp Sci, Rome, Italy
000178568 700__ $$aBernaschi, Massimo$$uCNR, Ist Applicaz Calcolo, Rome, Italy
000178568 700__ $$0245017$$aMelchionna, Simone$$g109248$$uEcole Polytech Fed Lausanne, Inst Mat Sci & Engn, CH-1015 Lausanne, Switzerland
000178568 773__ $$j10$$q1071-1088$$tCommunications In Computational Physics
000178568 909C0 $$0252357$$pLMMM$$xU12050
000178568 909CO $$ooai:infoscience.tind.io:178568$$particle
000178568 937__ $$aEPFL-ARTICLE-178568
000178568 973__ $$aEPFL$$rREVIEWED$$sPUBLISHED
000178568 980__ $$aARTICLE