Thursday, April 25, 9:30 am in MTH 3206, University of Maryland,
College Park
Multiscale Solvers for Nonlinear Electrostatics
Prof. Faisal Saied
Department of Computer Science,
University of Illinois Urbana Champaign
The nonlinear Poisson-Boltzmann equation (NLPBE) of Bio-Physics models
the electrostatic field of a molecule in an ionic solution. It is a
continuum model, that leads to a three-dimensional, nonlinear elliptic
pde, with discontinuous coefficients. We show that multiscale solvers
can be very effective for the solution of this problem. In particular,
we develop multigrid-based Newton iterations for the NLPBE.
The performance of these solvers for some molecules is compared to other
algorithms, and the computed solution is compared to some experimental
results. Visualization results and some performance data for parallel
implementations of these methods will be presented.
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