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Phys. Rev. Lett. 88, 196402 (2002) [4 pages]

Local Simulation Algorithms for Coulomb Interactions

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A. C. Maggs and V. Rossetto
Laboratoire de Physico-Chime Théorique, ESPCI-CNRS, 10 rue Vauquelin, 75231 Paris Cedex 05, France

Received 1 November 2001; published 24 April 2002

See accompanying Physics Focus

Long ranged electrostatic interactions are time consuming to calculate in molecular dynamics and Monte Carlo simulations. We introduce an algorithmic framework for simulating charged particles which modifies the dynamics so as to allow equilibration using a local Hamiltonian. The method introduces an auxiliary field with constrained dynamics so that the equilibrium distribution is determined by the Coulomb interaction. We demonstrate the efficiency of the method by simulating a simple, charged lattice gas.

© 2002 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.88.196402
DOI:
10.1103/PhysRevLett.88.196402
PACS:
71.15.Pd, 07.05.Tp, 61.20.Ja, 72.20.Jv