Volume 12, Issue 4
Boosted Hybrid Method for Solving Chemical Reaction Systems with Multiple Scales in Time and Population Size

Yucheng Hu, Assyr Abdulle & Tiejun Li

Commun. Comput. Phys., 12 (2012), pp. 981-1005.

Published online: 2012-12

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  • Abstract

A new algorithm, called boosted hybrid method, is proposed for the simulation of chemical reaction systems with scale-separation in time and disparity in species population. For such stiff systems, the algorithm can automatically identify scale-separation in time and slow down the fast reactions while maintaining a good approximation to the original effective dynamics. This technique is called boosting. As disparity in species population may still exist in the boosted system, we propose a hybrid strategy based on coarse-graining methods, such as the tau-leaping method, to accelerate the reactions among large population species. The combination of the boosting strategy and the hybrid method allow for an efficient and adaptive simulation of complex chemical reactions. The new method does not need a priori knowledge of the system and can also be used for systems with hierarchical multiple time scales. Numerical experiments illustrate the versatility and efficiency of the method. 

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@Article{CiCP-12-981, author = {}, title = {Boosted Hybrid Method for Solving Chemical Reaction Systems with Multiple Scales in Time and Population Size}, journal = {Communications in Computational Physics}, year = {2012}, volume = {12}, number = {4}, pages = {981--1005}, abstract = {

A new algorithm, called boosted hybrid method, is proposed for the simulation of chemical reaction systems with scale-separation in time and disparity in species population. For such stiff systems, the algorithm can automatically identify scale-separation in time and slow down the fast reactions while maintaining a good approximation to the original effective dynamics. This technique is called boosting. As disparity in species population may still exist in the boosted system, we propose a hybrid strategy based on coarse-graining methods, such as the tau-leaping method, to accelerate the reactions among large population species. The combination of the boosting strategy and the hybrid method allow for an efficient and adaptive simulation of complex chemical reactions. The new method does not need a priori knowledge of the system and can also be used for systems with hierarchical multiple time scales. Numerical experiments illustrate the versatility and efficiency of the method. 

}, issn = {1991-7120}, doi = {https://doi.org/10.4208/cicp.190411.301111a}, url = {http://global-sci.org/intro/article_detail/cicp/7321.html} }
TY - JOUR T1 - Boosted Hybrid Method for Solving Chemical Reaction Systems with Multiple Scales in Time and Population Size JO - Communications in Computational Physics VL - 4 SP - 981 EP - 1005 PY - 2012 DA - 2012/12 SN - 12 DO - http://dor.org/10.4208/cicp.190411.301111a UR - https://global-sci.org/intro/article_detail/cicp/7321.html KW - AB -

A new algorithm, called boosted hybrid method, is proposed for the simulation of chemical reaction systems with scale-separation in time and disparity in species population. For such stiff systems, the algorithm can automatically identify scale-separation in time and slow down the fast reactions while maintaining a good approximation to the original effective dynamics. This technique is called boosting. As disparity in species population may still exist in the boosted system, we propose a hybrid strategy based on coarse-graining methods, such as the tau-leaping method, to accelerate the reactions among large population species. The combination of the boosting strategy and the hybrid method allow for an efficient and adaptive simulation of complex chemical reactions. The new method does not need a priori knowledge of the system and can also be used for systems with hierarchical multiple time scales. Numerical experiments illustrate the versatility and efficiency of the method. 

Yucheng Hu, Assyr Abdulle & Tiejun Li. (2020). Boosted Hybrid Method for Solving Chemical Reaction Systems with Multiple Scales in Time and Population Size. Communications in Computational Physics. 12 (4). 981-1005. doi:10.4208/cicp.190411.301111a
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