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Ribbens, C. J., P. Bora, D. M. Ventra, J. Hauck, S. Prabhakar, and C. Taylor, "From cluster to Grid: a case study in scaling-up a molecular electronics simulation code", Proceedings of the High Performance Computing Symposium 2003, San Diego, I. Banicescu (ed.), Society for Modeling and Simulation International, pp. 54-62, 2003.