R. D. Skeel, I. Tezcan, and D. J. Hardy. Multiple grid methods for classical molecular dynamics. J. Comp. Chem., 23(6):673--684, 2002. 78 Home/Search Document Not in Database Summary Related Articles Check |
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Framework Design, Parallelization and Force Computation in.. - Matthey (Correct)
....for 3 dimensional systems are discussed. 3.4 Multi grid Multi grid (MG) was introduced in the 1960s by Fedorenko [35] and Bakhvalov [5] to solve partial differential equations. It got full attention in the 1980s, but only recently it has been applied and implemented for N body problems [13, 107]. MG scales as O(N) MG imposes a hierarchical separation of spatial scales. The pair wise interactions are split into a local and a smooth part. The local part are the short range interactions, which are computed directly. The smooth part represents the slowly varying energy contributions, ....
....G, the mesh size h, and the interpolation order p. Assuming a C continuous kernel and at least n order accurate interpolation, the relative force error of the smooth part is . Thus, the total relative force error is p 2 : 44) A detailed error estimation of MG is given in [107]. In [13, pp. 6 31] the performance is compared with the direct method for a 2dimensional system of charges and dipoles. In [107] MG is compared against the fast multi pole method that is implemented in the parallel program DPMTA [95] for water systems. As expected, experiments from [107] show ....
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R. D. Skeel, I. Tezcan, and D. J. Hardy. Multiple grid methods for classical molecular dynamics. J. Comp. Chem., 23(6):673--684, March 2002.
Mdsimaid: An Automatic Recommender For Optimization Of Fast.. - Ko (2002) (3 citations) (Correct)
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R. D. Skeel, I. Tezcan, and D. J. Hardy. Multiple grid methods for classical molecular dynamics. J. Comp. Chem., 23(6):673--684, 2002. 78
PROTOMOL: A Molecular Dynamics Research - Framework For Algorithmic (2003) (Correct)
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Skeel, R.D., Tezcan, I., Hardy, D.J.: Multiple grid methods for classical molecular dynamics. J. Comp. Chem. 23 (2002) 673--684
Parallel multigrid summation for the N-body problem - Izaguirre, Matthey (2004) (Correct)
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R. D. Skeel, I. Tezcan, D. J. Hardy, Multiple grid methods for classical molecular dynamics, J. Comp. Chem. 23 (6) (2002) 673--684.
Targeted Mollified Impulse - A Multiscale Stochastic.. - Ma, Izaguirre (2003) (Correct)
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R. D. Skeel, I. Tezcan, and D. J. Hardy. Multiple grid methods for classical molecular dynamics. J. Comp. Chem., 23(6):673--684, 2002.
MDSimAid: A Recommender System for Automatic Parameter.. - Crocker, Hampton.. (2004) (Correct)
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R. D. Skeel, I. Tezcan, and D. J. Hardy. Multiple grid methods for classical molecular dynamics. J. Comp. Chem., 23(6):673--684, 2002.
Novel Multiscale Algorithms for Molecular Dynamics - Ma (2003) (Correct)
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R. D. Skeel, I. Tezcan, and D. J. Hardy. Multiple grid methods for classical molecular dynamics. J. Comp. Chem., 23(6):673--684, March 2002.
Classical Molecular Dynamics and Parallel Computing - Sutmann (2002) (Correct)
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R.D. Skeel and I. Tezcan and D.J. Hardy, Multiple grid methods for classical molecular dynamics, J. Comp. Chem., 23, 673-684, 2002.
PROTOMOL: A Molecular Dynamics Research - Framework For Algorithmic (Correct)
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Skeel, R.D., Tezcan, I., Hardy, D.J.: Multiple grid methods for classical molecular dynamics. J. Comp. Chem. 23 (2002) 673--684
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