Seminars & Events

Mathematics and Computer Science Division Seminar
"Parameter Dependent Nonlinear Equations with Applications to Molecular Design"

DATE: January 16, 2008
TIME: 10:30 am
SPEAKER: Kelly Dickson, North Carolina State University
LOCATION: Building 221, Conference Room A216, Argonne National Laboratory
HOST: Mihai Anitescu

Description:
Numerical continuation is the process of solving systems of nonlinear parameter dependent equations for various parameter values. Continuation studies are helpful in understanding physical systems as they undergo changes. In particular, as a fluid changes density or temperature, one can observe crucial transitions in structural and thermodynamic properties. In this talk, I first present new analysis that gives a useful convergence result for a standard continuation technique known as pseudo-arclength continuation. Next, I present new integral equation theory for atomic and molecular fluids developed at the Institute for Molecular Design at the University of Houston. I discuss a new implementation of this theory in the context of numerical continuation using Trilinos, a software framework developed at Sandia National Labs.

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