|Date: Friday, October 06, 2017
Location: 1084 East Hall (4:10 PM to 5:00 PM)
Title: Treecode Methods in Biomolecular Simulations
Abstract: Treecode methods provide a useful tool for accelerating computation in many-body problems. These methods involve a hierarchical decomposition of the computational domain into a tree-like structure of particle clusters, allowing for fast evaluation of long-range interactions. In this talk, we explore the application of these tools to two related biomolecular problems. First, we will discuss the evaluation of Coulomb and screened-Coulomb potentials resulting from a collection of point charges. Second, we will explore the application of treecodes to a boundary-integral method for solving the Poisson-Boltzmann Equation, a model for the electrostatic interactions of biomolecules in an ionic solvent. We additionally explore some computational aspects of implementing treecodes, including distributed memory parallelization.
Speaker: Leighton Wilson
Institution: University of Michigan
Event Organizer: Audra McMillan Amcm@umich.edu