Ewald method for polytropic potentials in arbitrary dimensionality

The Spectral Ewald method for singly periodic Coulomb potentials

Ewald sums for Yukawa potentials in quasi-two-dimensional systems.

In this note, we derive Ewald sums for Yukawa potential for three dimensional systems with two dimensional periodicity. This sums are derived from the Ewald sums for Yukawa potentials with three dimensional periodicity [G. Salin and J.-M. Caillol, J. Chem. Phys. 113, 10459 (2000)] by using the method proposed by Parry for the Coulomb interactions [D.E. Parry, Surf. Sci. 49, 433 (1975); 54, 195 ...

Fast Ewald summation for free-space Stokes potentials

We present a spectrally accurate method for the rapid evaluation of free-space Stokes potentials, i.e., sums involving a large number of free space Green’s functions. We consider sums involving stokeslets, stresslets and rotlets that appear in boundary integral methods and potential methods for solving Stokes equations. The method combines the framework of the Spectral Ewald method for periodic...

Fast Ewald sums for general van der Waals potentials

We consider ways to increase calculational speed for Ewald of crystal summations in cases where standard combination rules do not apply. This also increases in the speed for the free-energy perturbation theory calculations.

Distributed P trticle-Mesh Ewald: A Parallel Ewald Summation Method

The Distributed Particle-Mesh Ewald method (DPME) is a parallel Ewald summation method that is based on the O(NlogN) PME method for evaluating the electrostatic interactions of a periodic particle system, where N is the number of particles in the unit cell. We present three implementations of the DPME method which are evaluated on a network of workstations and the Cray T3D. The performance of t...