Abstract
This paper describes briefly the physical methods behind our Molecular Dynamics simulations, and the projects carried out on Connection Machine supercomputers. The algorithms are discussed, and the implementation on parallel computers is described. Performance measurements obtained on CM-200 and CM-5 are reported.
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References
K. W. Jacobsen, J. K. Nørskov, and M. J. Puska, Phys. Rev. B35, 7423 (1987); K. W. Jacobsen, Comments Cond. Mat. Phys. 14, 129 (1988).
J. Schiøtz, K. W. Jacobsen, J. K. Nørskov, and O. H. Nielsen, in preparation.
O. H. Nielsen, J. P. Sethna, P. Stoltze, K. W. Jacobsen and J. K. Nørskov, Melting a copper duster: Critical droplet theory, Europhysics Letters, 26, 51 (1994).
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© 1994 Springer-Verlag Berlin Heidelberg
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Nielsen, O.H. (1994). Molecular dynamics: experiences with connection machines CM-200 and CM-5. In: Dongarra, J., Waśniewski, J. (eds) Parallel Scientific Computing. PARA 1994. Lecture Notes in Computer Science, vol 879. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0030168
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DOI: https://doi.org/10.1007/BFb0030168
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