Rate Constant Matrix Contraction Method for Stiff Master Equations with Detailed Balance
CoRR(2023)
摘要
This paper considers master equations for Markovian kinetic schemes that
possess the detailed balance property. Chemical kinetics, as a prime example,
often yields large-scale, highly stiff equations. Based on chemical intuitions,
Sumiya et al. (2015) presented the rate constant matrix contraction (RCMC)
method that computes approximate solutions to such intractable systems.
This paper aims to establish a mathematical foundation for the RCMC method.
We present a reformulated RCMC method in terms of matrix computation, deriving
the method from several natural requirements. We then perform a theoretical
error analysis based on eigendecomposition and discuss implementation details
caring about computational efficiency and numerical stability. Through
numerical experiments on synthetic and real kinetic models, we validate the
efficiency, numerical stability, and accuracy of the presented method.
更多查看译文
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要