Scalable molecular-dynamics, visualization, and data-management algorithms for materials simulations
Nakano, A; Kalia, RK; Vashishta, P
COMPUTING IN SCIENCE & ENGINEERING, 1 (5): 39-47 SEP-OCT 1999
Highly efficient algorithms for massively parallel computers, interactive virtual environments for analyzing and steering simulations in real time, and data compression and mining schemes for input/output and knowledge discovery have led to rapid progress in large-scale molecular-dynamics simulations involving millions of atoms. Consequently, dynamic fracture of materials with realistic microstructures can now be modeled atom-by-atom.
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