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Chemical Mechanism Solvers in Air Quality Models†
Computational Science Laboratory, Department of Computer Science, Virginia Polytechnic Institute and State University, Blacksburg, VA 24061-0106, USA
Northrop Grumman Electronic Systems. 7323 Aviation Blvd., Linthicum, MD 21240, USA
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; in revised form: 22 August 2011 / Accepted: 31 August 2011 / Published: 13 September 2011
Abstract: 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
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MDPI and ACS Style
Zhang, H.; Linford, J.C.; Sandu, A.; Sander, R. Chemical Mechanism Solvers in Air Quality Models. Atmosphere 2011, 2, 510-532.
Zhang H, Linford JC, Sandu A, Sander R. Chemical Mechanism Solvers in Air Quality Models. Atmosphere. 2011; 2(3):510-532.
Zhang, Hong; Linford, John C.; Sandu, Adrian; Sander, Rolf. 2011. "Chemical Mechanism Solvers in Air Quality Models." Atmosphere 2, no. 3: 510-532.