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A Multipole-Based Algorithm for Efficient Calculation of Forces and Potentials in Macroscopic Periodic Assemblies of Particles (1994)  (Make Corrections)  (8 citations)
Christophe G. Lambert, John A. Board, Jr.
Journal of Computational Physics



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Abstract: A new and efficient algorithm based on multipole techniques is presented which calculates the electrostatic forces and potentials in macroscopic periodic assemblies of particles. The Fast Multipole Algorithm (FMA) can be used to compute forces within the n-particle unit cell in O(n) time. For the cubic lattice, forces due to a 3 k \Theta 3 k \Theta 3 k lattice of images of the unit cell, containing 3 3k n particles, can be computed in O(nk 2 + k 3 log k) time to arbitrary... (Update)

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.... modeled as continuous plates of uniform density ae = P n i=1 q i , and a somewhat more realistic bound was derived for the growth of p [12]. 3.2.4. Scheme 2 The spatial decomposition of scheme 1 can result in an excessively large number of terms, p, in the multipole...

.... further multipole based algorithms and enhancements, such as the use of Fourier space Multipole Computation [6] Macroscopic Expansions [9], as well as some initial forays into Load Balancing issues [39] Further development of these algorithms was performed by Elliott within...

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Framework Design, Parallelization and Force Computation in.. - Matthey   (Correct)
Ewald and Multipole Methods for Periodic N-Body Problems - Board, Jr., Humphres.. (1997)   (Correct)
Efficient Parallel Implementations of Multipole Based N-Body.. - Rankin (1997)   (Correct)

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6:   The Rapid Evaluation of Potential Fields in Particle Systems (context) - Greengard - 1988
6:   Scalable variants of multipoleaccelerated algorithms for molecular dynamics appl.. - Board, Hakura et al. - 1995
5:   Fast Fourier transform accelerated fast multipole algorithm (context) - Elliott, Board - 1995

BibTeX entry:   (Update)

C. G. Lambert. Multipole-based algorithms for efficient calculation of forces and potentials in macroscopic periodic assemblies of particles. Master's thesis, Duke University Department of Computer Science, 1994. Available as techreport CS-1994-23. http://citeseer.ist.psu.edu/221766.html   More

@article{ lambert96multipolebased,
    author = "Christophe G. Lambert and Thomas A. Darden and John A. {Board, Jr.}",
    title = "A multipole-based algorithm for efficient calculation of forces and potentials in macroscopic periodic assemblies of particles",
    journal = "Journal of Computational Physics",
    volume = "126",
    number = "2",
    month = "????",
    pages = "274--285",
    year = "1996",
    url = "citeseer.ist.psu.edu/221766.html" }
Citations (may not include all citations):
191   The Rapid Evaluation of Potential Fields in Particle Systems (context) - Greengard - 1988  ACM
37   Implementing the fast multipole method in three dimensions (context) - Schmidt, Lee - 1991
22   Fast Fourier transform accelerated fast multipole algorithm (context) - Elliott, Board - 1995  ACM
22   The rapid evaluation of potential fields in three dimensions (context) - Greengard, Rokhlin - 1988
15   the efficient implementation of the fast multipole algorithm (context) - Greengard, Rokhlin - 1988
13   Scalable variants of multipoleaccelerated algorithms for mol.. - Board, Hakura et al. - 1995
8   An algorithm for the simulation of condensed matter which gr.. (context) - Perram, Petersen et al. - 1988
8   Multipole-based algorithms for efficient calculation of forc.. - Lambert - 1994  ACM
6   Particle mesh Ewald: An n log (context) - Darden, York et al. - 1993
4   The extended Ewald method: A general treatment of longrange .. (context) - Kuwajima, Warshel - 1988
4   The aqueous solvation of water: A comparison of continuum me.. (context) - Rick, Berne - 1994
4   The fast Fourier Poisson method for calculating Ewald sums (context) - York, Yang - 1994
3   Revisiting the fast multipole algorithm error bounds (context) - Elliott - 1994
3   Molecular dynamics simulations of water with Ewald summation.. (context) - Belhadj, Alper et al. - 1991
3   Cutoff size does strongly influence molecular dynamics resul.. (context) - Schreiber, Steinhauser - 1992
3   Die berechnung optischer und elektroscher und elektrostatisc.. (context) - Ewald - 1921
3   Atomic-level accuracy in simulations of large protein crysta.. (context) - York, Wlodawer et al. - 1994
2   term in Coulomb sums by the Ewald transformation (context) - Deem, Newsam et al. - 1990



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