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Atmosphere 2011, 2(3), 510-532; doi:10.3390/atmos2030510

Chemical Mechanism Solvers in Air Quality Models

1,*  and 3
1 Computational Science Laboratory, Department of Computer Science, Virginia Polytechnic Institute and State University, Blacksburg, VA 24061-0106, USA 2 Northrop Grumman Electronic Systems. 7323 Aviation Blvd., Linthicum, MD 21240, USA 3 Air Chemistry Department, Max-Planck Institute of Chemistry, P.O. Box 3060, Mainz 55020, Germany
The paper is dedicated to the memory of Dr. Daewon Byun, whose work remains a lasting legacy tothe field of air quality modeling and simulation.
* Author to whom correspondence should be addressed.
Received: 18 July 2011 / Revised: 22 August 2011 / Accepted: 31 August 2011 / Published: 13 September 2011
(This article belongs to the Special Issue Air Pollution Modeling: Reviews of Science Process Algorithms)
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The solution of chemical kinetics is one of the most computationally intensivetasks in atmospheric chemical transport simulations. Due to the stiff nature of the system,implicit time stepping algorithms which repeatedly solve linear systems of equations arenecessary. This paper reviews the issues and challenges associated with the construction ofefficient chemical solvers, discusses several families of algorithms, presents strategies forincreasing computational efficiency, and gives insight into implementing chemical solverson accelerated computer architectures.
Keywords: chemical mechanisms; stiff solvers; sparsity; KPP; parallelism; acceleratorarchitectures; KPPA chemical mechanisms; stiff solvers; sparsity; KPP; parallelism; acceleratorarchitectures; KPPA
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


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Zhang, H.; Linford, J.C.; Sandu, A.; Sander, R. Chemical Mechanism Solvers in Air Quality Models. Atmosphere 2011, 2, 510-532.

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