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

DOI10.1006/JCPH.1996.0137zbMath0869.65077OpenAlexW2071631340MaRDI QIDQ1924693

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

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

algorithms electrostatic fields macroscopic periodic assemblies of particles multipole-based algorithm

Mathematics Subject Classification ID

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

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A cell multipole based domain decomposition algorithm for molecular dynamics simulation of systems of arbitrary shape ⋮ A method to compute periodic sums ⋮ Calculation of isotropic turbulence using a pure Lagrangian vortex method ⋮ Comparing vortex methods and finite difference methods in a homogeneous turbulent shear flow ⋮ Fast multipole method applied to Lagrangian simulations of vortical flows ⋮ Communications overlapping in fast multipole particle dynamics methods ⋮ Large-scale simulations of microstructural evolution in elastically stressed solids. ⋮ A high-order boundary integral method for surface diffusions on elastically stressed axisymmetric rods ⋮ An adaptive fast solver for the modified Helmholtz equation in two dimensions ⋮ Algorithmic challenges in computational molecular biophysics ⋮ Integral representations of harmonic lattice sums ⋮ Fast multipole methods for particle dynamics

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