Z. H. Duan, R. Krasny, An adaptive treecode for computing nonbonded potential energy in classical molecular systems, Journal of Computation Chemistry 22(2) (2001) 184--195. Home/Search Document Not in Database Summary Related Articles Check |
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A Test Set for Molecular Dynamics Algorithms - Barth, Leimkuhler, Reich (2002) (Correct)
....see below) is smoothly switched to zero by a switching function such as (3. 21) There is evidence that cutoffs can cause undesirable artifacts [70,71] A review of this issue is found in [72] For this reason attention has turned to the development of summation schemes, such as fast multipole [1,73 75] and Ewald summation [76 78] for faster evaluation of electrostatic energies and forces without distance cutoffs. It is often the case that fast summation methods enjoy computational speedups, as compared to direction summation, only for sufficiently large systems. Large periodic water systems ....
Z.-H. Duan and R. Krasny, An adaptive treecode for computing nonbonded potential energy in classical molecular systems, J. Comp. Chem., 21 (2000), pp. 1--12
Parallel multigrid summation for the N-body problem - Izaguirre, Matthey (2004) (Correct)
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Z. H. Duan, R. Krasny, An adaptive treecode for computing nonbonded potential energy in classical molecular systems, Journal of Computation Chemistry 22(2) (2001) 184--195.
Improved Time Bounds for Near-Optimal Sparse Fourier.. - Gilbert.. (2003) (Correct)
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Z.-H. Duan and R. Krasny. An Adaptive Treecode for Computing Nonbonded Potential Energy in Classical Molecular Systems. Journal of Computational Chemistry, 22(2) 184--195 (2001).
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