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Equation-free optimal switching policies for bistable reacting systems using coarse time-steppers
TLDR
In this paper, a computer-assisted approach to locate approximate coarse optimal switching policies between stationary states of chemically reacting systems described by microscopic/stochastic evolution rules is presented, which constitutes a bridge between the underlying kinetic Monte Carlo simulation and traditional, continuum numerical optimization techniques formulated in discrete time.Abstract:
We present a computer-assisted approach to locating approximate coarse optimal switching policies between stationary states of chemically reacting systems described by microscopic/stochastic evolution rules. The ``coarse time-stepper" constitutes a bridge between the underlying kinetic Monte Carlo simulation and traditional, continuum numerical optimization techniques formulated in discrete time. The approach is illustrated through two simple catalytic surface reaction models, implemented through kinetic Monte Carlo: NO reduction on Pt, and CO oxidation on Pt. The objective sought in both cases is to switch between two coexisting stable stationary states by minimal manipulation of a macroscopic system parameter.read more
Citations
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Journal ArticleDOI
Condition Estimates for Pseudo-Arclength Continuation
TL;DR: The condition number of the Jacobian is bound in pseudo-arclength continuation problems, and the effect of this condition number on the linear system solution in a Newton-GMRES solve is quantified.
Journal ArticleDOI
Equation-free, coarse-grained computational optimization using timesteppers
Aditya Bindal,Marianthi G. Ierapetritou,Suhrid Balakrishnan,Antonios Armaou,A. G. Makeev,Ioannis G. Kevrekidis +5 more
TL;DR: The equation-free approach to perform system level optimization by acting directly on microscopic/stochastic models is employed and the combination of “coarse timesteppers” with standard (both local and global) optimization techniques is illustrated.
Journal ArticleDOI
A systems-based approach to multiscale computation : Equation-free detection of coarse-grained bifurcations
TL;DR: Two distinct approaches for adaptive detection of instabilities in laboratory experiments are presented and a comparison of the two approaches brings forth a key feature of equation-free computation: computational experiments can be easily initialized at will, in contrast to laboratory ones.
DissertationDOI
Multiscale geometric integration of deterministic and stochastic systems
TL;DR: In this paper, the authors developed multiscale geometric integrators to accelerate computations and improve long time accuracy of numerical simulations, in order to accelerate the computations of numerical simulation.
Book ChapterDOI
An Efficient Optimization Approach for Computationally Expensive Timesteppers Using Tabulation
Amit Varshney,Antonios Armaou +1 more
TL;DR: A methodology is outlined for the efficient solution of dynamic optimization problems when the system evolution is described by computationally expensive timestepper-based models by extending the notion of in situ adaptive tabulation to stochastic systems.
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A revolution in optical manipulation
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