KPP: A Software Environment for Modeling Chemical Kinetics
Adrian Sandu
Virginia Polytechnic Institute and State University, Department of Computer Science
Tuesday, May 25, 2004 15:00-16:00,
NIST North (820), Room 145
Gaithersburg
Tuesday, May 25, 2004 13:00-14:00,
Room 4550
Boulder
Abstract:
In this talk we will present the chemical preprocessor KPP.
Given a system of chemical equations, KPP can generate efficient Fortran and C code for its simulation.
Generated code includes the Jacobian in sparse format, the Hessian in sparse format, and numerical methods
for efficient linear algebra, time stepping, and direct and adjoint sensitivity analysis.
Numerical experiments will be presented for large, 3D inverse problems for atmospheric reactive flows,
where the direct and adjoint code for chemical simulations is implemented by KPP.
Presentation Slides: PDF
Contact: F. PotraNote: Visitors from outside NIST must contact
Robin Bickel; (301) 975-3668;
at least 24 hours in advance.
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