NAMD2: greater scalability for parallel molecular dynamics
Journal of Computational Physics - Special issue on computational molecular biophysics
Practical Construction of Modified Hamiltonians
SIAM Journal on Scientific Computing
Computing statistics for Hamiltonian systems: A case study
Journal of Computational and Applied Mathematics
Journal of Computational Physics
Progress in scaling biomolecular simulations to petaflop scale platforms
Euro-Par'06 Proceedings of the CoreGRID 2006, UNICORE Summit 2006, Petascale Computational Biology and Bioinformatics conference on Parallel processing
Journal of Computational Physics
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An adaptive multilevel wavelet collocation method for solving multi-dimensional elliptic problems with localized structures is described. The method is based on multi-dimensional second generation wavelets, and is an extension of the dynamically adaptive ...