Matrix-free Brownian dynamics simulation technique for semidilute polymeric solutions.

@article{Saadat2015MatrixfreeBD,
  title={Matrix-free Brownian dynamics simulation technique for semidilute polymeric solutions.},
  author={Amir Saadat and Bamin Khomami},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  year={2015},
  volume={92 3},
  pages={
          033307
        }
}
Evaluating the concentration dependence of static and dynamic properties of macromolecules in semidilute polymer solutions requires accurate calculation of long-range hydrodynamic interactions (HI) and short range excluded volume (EV) forces. In conventional Brownian dynamics simulations (BDS), computation of HI necessitates construction of a dense diffusion tensor commonly performed via Ewald summation. Krylov subspace techniques allow efficient decomposition of this tensor [computational cost… CONTINUE READING
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