The DOI matches its Crossref record; 9 of the 9 references it cites were found in a registry or an index.
Comments on P3M, FMM, and the Ewald method for large periodic Coulombic systems
Open accessAbstract
Prompted by the need to simulate large molecular or gravitational systems and the availability of multiprocessor computers, alternatives to the standard Ewald calculation of Coulombic interactions have been developed. The two most popular alternatives, the fast multipole method (FMM) and the particle-particle particle-mesh (P3M) method are compared here to the Ewald method for a single processor machine. Parallel processor implementations of the P3M and Ewald methods are compared. The P3M method is found to be both faster than the FMM and easier to implement efficiently as it relies on commonly available software (FFT subroutines). Both the Ewald and P3M method are easily implemented on parallel architectures with the P3M method the clear choice for large systems.
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Cited by
Thompson, A. P., Aktulga, H. M., Berger, R., Bolintineanu, D. S., Brown, W. M., Crozier, P. S., in 't Veld, P. J., Kohlmeyer, A., Moore, S. G., Nguyen, T. D., et al. (2022) · Computer Physics Communications · doi:10.1016/j.cpc.2021.108171 · Cited by 12,598
The Amber biomolecular simulation programs
Case, D. A., Cheatham, T. E., Darden, T., Gohlke, H., Luo, R., Merz, K. M., Onufriev, A., Simmerling, C., Wang, B., & Woods, R. J. (2005) · Journal of Computational Chemistry · doi:10.1002/jcc.20290 · Cited by 9,535
Martyna, G. J., & Tuckerman, M. E. (1999) · The Journal of Chemical Physics · doi:10.1063/1.477923 · Cited by 687
Darden, T., Perera, L., Li, L., & Pedersen, L. (1999) · Structure · doi:10.1016/s0969-2126(99)80033-1 · Cited by 676
Real-space mesh techniques in density-functional theory
Beck, T. L. (2000) · Reviews of Modern Physics · doi:10.1103/revmodphys.72.1041 · Cited by 473
Metadata
- Authors
- Pollock, E. L., & Glosli, J.
- Venue
- Computer Physics Communications
- Publisher
- Elsevier BV
- Published
- 1996-06
- Volume
- 95
- Issue
- 2-3
- Pages
- 93-110
- ISSN
- 0010-4655 (ISSN-L)
- OpenAlex
- W1963495301
- Cited by
- 422
- References
- 9
- FWCI
- 4.56
- Type
- journal article
- Language
- en
- Open access
- green
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- Pollock, E. L., & Glosli, J. (1996). Comments on P3M, FMM, and the Ewald method for large periodic Coulombic systems. Computer Physics Communications. https://doi.org/10.1016/0010-4655(96)00043-4
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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