[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.
