A multipole-based algorithm for efficient calculation of forces and potentials in macroscopic periodic assemblies of particles

DOI10.1006/JCPH.1996.0137MaRDI QIDQ1924693zbMATH OpenOpenAlexFDO

Authors C. G. Lambert, Thomas A. Darden, John A. jun. Board

Publication date 2 September 1997

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://semanticscholar.org/paper/2df53fd60d2d88acc8ae32c72be66be41e4e42ee

zbMATH Keywords

algorithmselectrostatic fieldsmacroscopic periodic assemblies of particlesmultipole-based algorithm

Mathematics Subject Classification ID

PDEs in connection with optics and electromagnetic theory (35Q60) Applications to the sciences (65Z05) Electro- and magnetostatics (78A30) Biophysics (92C05)

Review text

The authors consider the problem of determining the electrostatic fields due to very large numbers of electric charges situated in macroscopic periodic assemblies. They present algorithms for these calculations and show that for a cubic lattice with a unit cell containing \(3^{3k}n\) particles the order of time of calculation is \(O(nk^2+k^3\log k)\). The results of a number of calculations are given and the relation with Eward sum techniques is discussed. Suggestions for future work are made.

Recommendations

• scientific article; zbMATH DE number 46317
• Fast multipole methods for particle dynamics
• A Fast Adaptive Multipole Algorithm for Particle Simulations
• scientific article; zbMATH DE number 4080996

Cited in

(17)

• A high-order boundary integral method for surface diffusions on elastically stressed axisymmetric rods
• Algorithmic challenges in computational molecular biophysics
• A cell multipole based domain decomposition algorithm for molecular dynamics simulation of systems of arbitrary shape
• Communications overlapping in fast multipole particle dynamics methods
• Fast multipole method applied to Lagrangian simulations of vortical flows
• On the efficient computation of large scale singular sums with applications to long-range forces in crystal lattices
• Quasi-periodic boundary conditions for hierarchical algorithms used for the calculation of inter-particle electrostatic interactions
• Calculation of isotropic turbulence using a pure Lagrangian vortex method
• An adaptive fast solver for the modified Helmholtz equation in two dimensions
• A general algorithm using Mathematica 2.0 for calculting dlvo potential interactions and stability ratios in spherical colloidal particle systems
• Fast multipole methods for particle dynamics
• A method to compute periodic sums
• Comparing vortex methods and finite difference methods in a homogeneous turbulent shear flow
• scientific article; zbMATH DE number 46317 (Why is no real title available?)
• Integral representations of harmonic lattice sums
• A linear scaling in accuracy numerical method for computing the electrostatic forces in the \(N\)-body dielectric spheres problem
• Large-scale simulations of microstructural evolution in elastically stressed solids.

This page was built for publication: A multipole-based algorithm for efficient calculation of forces and potentials in macroscopic periodic assemblies of particles

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1924693)