A. Nakano et al., Scalable molecular-dynamics, visualization, and data-management algorithmsfor materials simulations, COMPUT SC E, 1(5), 1999, pp. 39-47
Highly efficient algorithms for massively parallel computers, interactive v
irtual environments for analyzing and steering simulations in real time, an
d data compression and mining schemes for input/output and knowledge discov
ery have led to rapid progress in large-scale molecular-dynamics simulation
s involving millions of atoms. Consequently, dynamic fracture of materials
with realistic microstructures can now be modeled atom-by-atom.