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[01725] Correlated random displacements computed by the Spectral Lanczos Decomposition Method and Barycentric Lagrange Treecode

  • Session Time & Room : 4C (Aug.24, 13:20-15:00) @E507
  • Type : Contributed Talk
  • Abstract : Brownian Dynamics simulations require correlated random displacements ${\bf g} = \sqrt{D}{\bf z}$ to account for hydrodynamic interactions among solvated biomolecules and polymers, where $D$ is the diffusion matrix based on the Rotne-Prager-Yamakawa tensor and ${\bf z}$ is a normal random vector. The Spectral Lanczos Decomposition Method (SLDM) computes a sequence of approximations to ${\bf g}$, but each iteration requires a matrix-vector product $D{\bf q}_k$, where ${\bf q}_k$ is the $k$th Lanczos vector. The present work applies the barycentric Lagrange treecode (BLTC) to accelerate the matrix-vector product, and numerical results show the performance of the SLDM-BLTC in serial and parallel calculations.
  • Classification : 65D99, 65Z05, 65F60, 76M35
  • Format : Talk at Waseda University
  • Author(s) :
    • Lei Wang (University of Wisconsin, Milwaukee)
    • Robert Krasny (University of Michigan, Ann Arbor)