Publications [#235120] of Weitao Yang

Journal Articles

1. York, D; Yang, W, The fast fourier poisson method for calculating ewald sums, J. Chem. Phys., vol. 101 no. 4 (1994), pp. 3298-3300, AIP Publishing, ISSN 0021-9606 [doi]
   (last updated on 2026/01/17)

   Abstract:
   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.