• Corpus ID: 235458360

Optimal explicit stabilized postprocessed τ-leap method for the simulation of chemical kinetics

@article{Abdulle2021OptimalES,
title={Optimal explicit stabilized postprocessed $\tau$-leap method for the simulation of chemical kinetics},
author={Assyr Abdulle and Lia Gander and Giacomo Rosilho de Souza},
journal={ArXiv},
year={2021},
volume={abs/2106.09339}
}
• Published 17 June 2021
• Computer Science
• ArXiv
The simulation of chemical kinetics involving multiple scales constitutes a modeling challenge (from ordinary differential equations to Markov chain) and a computational challenge (multiple scales, large dynamical systems, time step restrictions). In this paper we propose a new discrete stochastic simulation algorithm: the postprocessed second kind stabilized orthogonal τ -leap Runge–Kutta method (PSK-τ -ROCK). In the context of chemical kinetics this method can be seen as a stabilization of…

References

SHOWING 1-10 OF 49 REFERENCES

Multilevel hybrid split-step implicit tau-leap

• Computer Science
Numerical Algorithms
• 2016
An efficient Multilevel Monte Carlo (MLMC) method that uses split-step implicit tau-leap (SSI-TL) at levels where the explicit-TL method is not applicable due to numerical stability issues is proposed.

Approximate accelerated stochastic simulation of chemically reacting systems

With further refinement, the τ-leap method should provide a viable way of segueing from the exact SSA to the approximate chemical Langevin equation, and thence to the conventional deterministic reaction rate equation, as the system size becomes larger.

Integral tau methods for stiff stochastic chemical systems.

• Computer Science
The Journal of chemical physics
• 2011
The implicit Minkowski-Weyl tau (IMW-τ) methods are introduced and it is shown that they are designed for stiff stochastic systems with molecular copy numbers ranging from small to large and that they produce integer states without rounding.

Nested stochastic simulation algorithm for chemical kinetic systems with disparate rates.

• Computer Science
The Journal of chemical physics
• 2005
An efficient simulation algorithm for chemical kinetic systems with disparate rates is proposed which amounts to a simple and seamless modification of the classical stochastic simulation algorithm (SSA).

Stabilized Numerical Methods for Stochastic Differential Equations driven by Diffusion and Jump-Diffusion Processes

Stochastic models that account for sudden, unforeseeable events play a crucial role in many different fields such as finance, economics, biology, chemistry, physics and so on. That kind of stochastic

Explicit time integration of the stiff chemical Langevin equations using computational singular perturbation.

• Computer Science
The Journal of chemical physics
• 2019
A stable explicit time-scale splitting algorithm for stiff chemical Langevin equations (CLEs) is developed, based on the concept of computational singular perturbation, which allows time integration step sizes much larger than those required by typical explicit numerical methods for stiff stochastic differential equations.

Stiffness in stochastic chemically reacting systems: The implicit tau-leaping method

• Computer Science
• 2003
It is shown how stiffness manifests itself in the simulation of chemical reactions at both the continuous-deterministic level and the discrete-stochastic level, and an implicit tau-leaping method is proposed that can take much larger time steps for many of these problems.

Exact Stochastic Simulation of Coupled Chemical Reactions

There are two formalisms for mathematically describing the time behavior of a spatially homogeneous chemical system: The deterministic approach regards the time evolution as a continuous, wholly