[Colloquium] Brune/Dissertation Defense/Jul 15, 2011

[Margaret Jaffey]

       Department of Computer Science/The University of Chicago

                     *** Dissertation Defense ***


Candidate:  Peter Brune

Date:  Friday, July 15, 2011

Time:  1:00 PM

Place:  Ryerson 277

Title: Fast Numerical Methods and Biological Problems

Abstract:
This thesis encompasses a number of efforts towards the development of
fast numerical methods and their applications, particularly in light
of the simulation of biochemical systems. Scientific computing as a
discipline requires considerations from computer science; namely those
of algorithmic efficiency and software automation. Also required is
knowledge of applied mathematics in order to bridge the gap between
computer science and specific application. This thesis spans these
fields, with the study and implementation of optimal numerical
techniques encompassing two chapters, and the development and
application of numerical techniques to biochemical problems
encompassing another two. The first of these efforts is the
construction of robust, optimal geometric unstructured multigrid
methods in the face of difficult problem and mesh conditions. The
second was the construction of optimal discrete function spaces for
problems arising in quantum mechanics and electronic structure
calculations. The third and fourth were the development of fast and
flexible methods for nanoscale implicit solvent electrostatics. The
development of fast and parallel methods for an important quantity of
interest in classical density functional theory calculations is
discussed. Also, the derivation and implementation of a finite element
method for improved solvent models using automated scientific
computing tools is described.

Peter's advisors are Prof. Todd Dupont and Prof. Ridgway Scott

Login to the Computer Science Department website for details,
including a draft copy of the dissertation:

 https://www.cs.uchicago.edu/phd/phd_announcements#brune

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Margaret P. Jaffey            margaret at cs.uchicago.edu
Department of Computer Science
Student Support Rep (Ry 156)               (773) 702-6011
The University of Chicago      http://www.cs.uchicago.edu
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