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Updated: Jun 14, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Corrected article: "An error-controlled fast multipole method" [J. Chem. Phys. 131, 244102 (2009)]
1Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich, 52425 Jülich, Germany. h.dachsel@fz-juelich.de
Abstract:
We present a two-stage error estimation scheme for the fast multipole method (FMM). This scheme can be applied to any particle system. It incorporates homogeneous as well as inhomogeneous distributions. The FMM error as a consequence of the finite representation of the multipole expansions and the operator error is correlated with an absolute or relative user-requested energy threshold. Such a reliable error control is the basis for making reliable simulations in computational physics. Our FMM program on the basis of the two-stage error estimation scheme is available on request.
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