The ENUF method—Ewald summation based on nonuniform fast Fourier transform: Implementation, parallelization, and application

  title={The ENUF method—Ewald summation based on nonuniform fast Fourier transform: Implementation, parallelization, and application},
  author={Sheng-Chun Yang and Bin Li and Youliang Zhu and Aatto Laaksonen and Yong-lei Wang},
  journal={Journal of Computational Chemistry},
  pages={2316 - 2335}
Computer simulations of model systems are widely used to explore striking phenomena in promising applications spanning from physics, chemistry, biology, to materials science and engineering. The long range electrostatic interactions between charged particles constitute a prominent factor in determining structures and states of model systems. How to efficiently calculate electrostatic interactions in simulation systems subjected to partial or full periodic boundary conditions has been a grand… 



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