Computationally efficient atmospheric chemical kinetic modeling by means of high dimensional model representation (HDMR)

S. W. Wang, P. G. Georgopoulos, G. Li, H. Rabitz

Research output: Chapter in Book/Report/Conference proceedingConference contribution

6 Scopus citations

Abstract

This paper presents an application of the efficient High Dimensional Model Representation (HDMR) method for relievingthe computational burden of chemical kinetic calculations in air quality models. An efficient HDMR for these types of calculations is based on expressing kinetic output variable (e.g., a chemical species concentration at a given reaction time) as an expansion of correlated functions consisting of the kinetic input variables (e.g., initial chemical species concentrations). The application of the HDMR method to atmospheric chemistry presented here focuses on a photochemical box model study of complex alkane/NOx/O3 photochemistry. It is shown that the HDMR calculations of multi-species time-concentration profiles can maintain accuracy comparable to the box-model simulations over reasonably wide ranges of initial chemical conditions. Furthermore, the HDMR expansion is about 400 times faster than the original box-model for performing ten thousand Monte Carlo uncertainty propagation runs, while producing very similar probability distributions of model outputs.

Original languageEnglish (US)
Title of host publicationLarge-Scale Scientific Computing - 3rd International Conference, LSSC 2001, Revised Papers
EditorsSvetozar Margenov, Jerzy Wasniewski, Plamen Yalamov
PublisherSpringer Verlag
Pages326-333
Number of pages8
ISBN (Print)3540430431
DOIs
StatePublished - 2001
Event3rd International Conference on Large-Scale Scientific Computing, LSSC 2001 - Sozopol, Bulgaria
Duration: Jun 6 2001Jun 10 2001

Publication series

NameLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Volume2179
ISSN (Print)0302-9743
ISSN (Electronic)1611-3349

Other

Other3rd International Conference on Large-Scale Scientific Computing, LSSC 2001
CountryBulgaria
CitySozopol
Period6/6/016/10/01

All Science Journal Classification (ASJC) codes

  • Theoretical Computer Science
  • Computer Science(all)

Fingerprint Dive into the research topics of 'Computationally efficient atmospheric chemical kinetic modeling by means of high dimensional model representation (HDMR)'. Together they form a unique fingerprint.

  • Cite this

    Wang, S. W., Georgopoulos, P. G., Li, G., & Rabitz, H. (2001). Computationally efficient atmospheric chemical kinetic modeling by means of high dimensional model representation (HDMR). In S. Margenov, J. Wasniewski, & P. Yalamov (Eds.), Large-Scale Scientific Computing - 3rd International Conference, LSSC 2001, Revised Papers (pp. 326-333). (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 2179). Springer Verlag. https://doi.org/10.1007/3-540-45346-6_34