A "partitioned leaping" approach for multiscale modeling of chemical reaction dynamics
A "partitioned leaping" approach for multiscale modeling of chemical reaction dynamics
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DOI：
10.1063/1.2354085
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发表时间：
2006-10-14
影响因子：
4.4
通讯作者：
Clancy, Paulette
中科院分区：
文献类型：
--
作者：
Harris, Leonard A.;Clancy, Paulette
我们提出了一种新颖的多尺度模拟方法，用于对化学反应网络中的随机性进行建模。该方法将精确随机和“跳跃”方法无缝集成到单个分区跳跃算法框架中。该技术以显着降低的计算成本正确地解释了随机噪声，仅需要定义三个与模型无关的参数，并且特别适合于模拟包含广泛不同物种种群的系统。我们介绍了分区跳跃的理论基础，讨论了其实际实现的各种选项，并通过说明性示例演示了该方法的实用性。 (c) 2006 年美国物理研究所。
We present a novel multiscale simulation approach for modeling stochasticity in chemical reaction networks. The approach seamlessly integrates exact-stochastic and "leaping" methodologies into a single partitioned leaping algorithmic framework. The technique correctly accounts for stochastic noise at significantly reduced computational cost, requires the definition of only three model-independent parameters, and is particularly well suited for simulating systems containing widely disparate species populations. We present the theoretical foundations of partitioned leaping, discuss various options for its practical implementation, and demonstrate the utility of the method via illustrative examples. (c) 2006 American Institute of Physics.