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Title |
Toward the Multiscale Numerical Solution of Chemically Reacting Systems
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Speaker
E-mail
From |
Linda Petzold
petzold@engineering.ucsb.edu
Department of Mechanical and Environmental Engineering
University of California, Santa Barbara
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Date
Time
Location |
Tuesday, June 18, 2002
10-11am (PST)
Bldg. 921, Room 137 (Sandia - CA)
Bldg. 980, Room 24 (Sandia - NM)
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Abstract |
Stochastic simulation enables the numerical simulation of the
time evolution of a well-stirred chemically reacting system in
a way that takes proper account of the randomness that is
inherent in such a system. However, the computer times
required to simulate over reasonable time periods are
prohibitively long if the molecular populations of any of the
reactant species are large. In cellular systems, for example,
this is nearly always the case. At the same time, the
deterministic reaction rate equations are well suited for
modeling of systems with large molecular populations, but
cannot accurately capture the evolution of species whose
populations are small.
In this talk we will examine a range of models from stochastic
simulation to the deterministic reaction rate equations. Since
the models naturally segue to each other, there is some reason
to hope that a multiscale numerical method that treats each
species and reaction at the most appropriate scale could be
developed. We will describe our progress on the first phase of
this effort: the development of efficient and robust
accelerated stochastic simulation algorithms inspired by the
recently developed tau-leaping method of Gillespie. This is
joint work with Dan Gillespie and Muruhan Rathinam.
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About the Speaker |
Linda R. Petzold is currently Professor in the Departments of
Mechanical and Environmental Engineering, and Computer
Science, and Director of the Computational Science and
Engineering Program at University of California, Santa
Barbara. She received her Ph.D. in Computer Science in 1978
from the University of Illinois. She was a member of the
Applied Mathematics Group at Sandia National
Laboratories/Livermore, and she was Group Leader of the
Numerical Mathematics Group at Lawrence Livermore National
Laboratory. From 1991-1997 she was Professor in the Dept. of
Computer Science at the University of Minnesota. Dr. Petzold
was awarded the Wilkinson Prize for Numerical Software and the
Dahlquist Prize, for numerical solution of differential
equations. She has served as SIAM (Society for Industrial and
Applied Mathematics) Vice-President at Large, as SIAM Vice
President for Publications, and as Editor in Chief of the SIAM
Journal on Scientific Computing. Her research interests
include numerical ordinary differential equations,
differential-algebraic equations, and partial differential
equations, sensitivity analysis, model reduction, parameter
estimation and optimal control for dynamical systems,
multiscale simulation, scientific computing and problem
solving environments.
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Download |
PDF | Powerpoint Formats
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| Sandia Point of Contact: |
Tamara Kolda, (925)294-4769, tgkolda@sandia.gov
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This seminar series is hosted by the CSMR Department at Sandia National Labs in Livermore, CA.
For more information on upcoming events in The CSMR Department, visit
http://csmr.ca.sandia.gov/news.html.
For more information on The Computer Science Research Institute (CSRI) at Sandia National Labs in
Albuquerque, NM, visit http://www.cs.sandia.gov/CSRI.
To schedule a time to meet with the speaker before or after the talk, please make arrangements one week in advance with the listed Sandia Contact.
Visitors from outside Sandia require at least 3 days notice in order to attend.
For more information, please visit our page
http://csmr.ca.sandia.gov/csri/visitor.html.
Special Note for CA visitors: U.S. Citizens with a valid DOE badge can report
to the Sandia badging office in building 911 to have their
badges activated for Sandia-California site access.
Be sure to tell the badge office to which building you will need
access.
E.g. for Building 921, you'll need access through the turnstile
facing the parking lot in front of Bldg 921.
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