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Colloquium: A posteriori analysis for the Poisson Boltzmann Equation

Event Type: 
Jehanzeb Chaudhry
Event Date: 
Thursday, November 16, 2017 -
3:30pm to 4:30pm
SMLC 356
General PublicFaculty/StaffStudentsAlumni/Friends

Event Description: 

Abstract: The Poisson-Boltzmann equation (PBE) models the electrostatic
interactions of charged bodies such as molecules and proteins in an electrolyte
solvent. The PBE is a challenging
equation to solve numerically due to the presence of  singularities, discontinuous
coefficients and boundary conditions. Hence, there is often large error in the
numerical solution of the  PBE that needs to be quantified. In this talk, we use
adjoint  based a posteriori analysis to accurately quantify the error in an
important quantity of interest, the solvation free energy, for the finite element
solution of the PBE. We identify various sources of error and propose novel
refinement strategies based on a posteriori error estimates. I will also briefly
review my recent work on uncertainty quantification for elliptic problems on
stochastic domains, a posteriori analysis for IMEX schemes and reduced basis
methods for least-squares finite elements.

Event Contact

Contact Name: Jehanzeb Chaudhry