An O(N2) approximation for hydrodynamic interactions in Brownian dynamics simulations.

@article{Geyer2009AnOA,
  title={An O(N2) approximation for hydrodynamic interactions in Brownian dynamics simulations.},
  author={Tiham{\'e}r Geyer and Uwe Winter},
  journal={The Journal of chemical physics},
  year={2009},
  volume={130 11},
  pages={114905}
}
In the Ermak-McCammon algorithm for Brownian dynamics, the hydrodynamic interactions (HIs) between N spherical particles are described by a 3Nx3N diffusion tensor. This tensor has to be factorized at each time step with a runtime of O(N(3)), making the calculation of the correlated random displacements the bottleneck for many-particle simulations. Here we present a faster algorithm for this step, which is based on a truncated expansion of the hydrodynamic multiparticle correlations as two-body… CONTINUE READING

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