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Fast, scalable master equation solution algorithms. III. Direct time propagation accelerated by a diffusion approximation preconditioned iterative solver

Frankcombe, Terry J.; Smith, Sean C.


In this paper we propose a novel fast and linearly scalable method for solving master equations arising in the context of gas-phase reactive systems, based on an existent stiff ordinary differential equation integrator. The required solution of a linear system involving the Jacobian matrix is achieved using the GMRES iteration preconditioned using the diffusion approximation to the master equation. In this way we avoid the cubic scaling of traditional master equationsolution methods and...[Show more]

CollectionsANU Research Publications
Date published: 2003-12-22
Type: Journal article
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1628213


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