Ewald potentials evaluated through look-up tables Original Research Article

In this paper we present a computational method to calculate the potential of long-range interactions between particles which allows considerable saving in computing time. The method is based on the tabulation of the potential due to particles located on a sufficiently accurate 3D grid. The actual potential is evaluated by a three-linear interpolation of the tabulated values. The validity of the method is proved through a Monte Carlo—Metropolis simulation of ionic fluids. Finally, the speed-up achieved executing the method on different workstations is shown.