Publications [#235120] of Weitao Yang

Journal Articles
  1. York, D; Yang, W, The fast Fourier Poisson method for calculating Ewald sums, Journal of Chemical Physics, vol. 101 no. 4 (1994), pp. 3298-3300 .

    The conventional Ewald expression for the electrostatic energy and forces is recast in a form that can be evaluated to high accuracy in order N log(N) steps using fast Fourier transforms. The fast Fourier Poisson method does not rely on interpolation approaches or Taylor/multipole expansions, and can be easily integrated with conventional molecular dynamics algorithms. © 1994 American Institute of Physics.