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Scientific Programming
Volume 4, Issue 3, Pages 185-192

Parallel Algorithms for Molecular Dynamics Simulation of Irradiation Effects in Crystals

Eli Glikman,1 Ludmila Ioffe,2 Itzhak Kelson,1 and Shlomit S. Pinter2

1School of Physics and Astronomy, The Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel
2Department of Electrical Engineering Technion – Israel Institute of Technology, Haifa 32000, Israel

Received 16 May 1994; Accepted 16 December 1994

Copyright © 1995 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


We present new parallel algorithms for solving the problem of many body interactions in molecular dynamics (MD). Such algorithms are essential in the simulation of irradiation effects in crystals, where the high energy of the impinging particles dictates computing with large numbers of atoms and for many time cycles. We realized the algorithms using two parallelization methods and compared their performance. Experimental results obtained on a Meiko machine demonstrate that the new algorithms exploit parallelism effectively and can be used to simulate large crystals.