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. 2019 Dec 27;151(24):244117. doi: 10.1063/1.5125022

TABLE II.

Root mean square error (RMSE) for our operator-splitting algorithm and CM. The superscript * represents the sample average of 20 000 trials. Both the time to reach the steady state, tkss, and the computational time are in seconds. Units of the RMSE are in the number of molecules of species C. Both the computational time and the RMSE are averaged over 20 000 trials for the diffusion-dominated cases and over 5000 for the other scenarios. All simulations have been performed using MATLAB software.

CM Our method
Regime DaL tkss (s) RMSE Computational time (s) RMSE Computational time (s)
Diffusion-dominated* 0.01 1 0.5909 9.6988 0.9975 0.0441
Diffusion-dominated* 0.02 1 0.5159 4.5942 0.7768 0.0428
Diffusion-dominated/intermediate transition* 0.1 1 0.5370 0.9275 1.0670 0.0435
Intermediate 1 1 0.7997 0.1015 0.5520 0.0421
Reaction-dominated/intermediate transition 10 1.5 3.2728 0.0455 2.2674 0.0405
Reaction-dominated 50 3 9.9077 0.0253 3.1173 0.0412
Reaction-dominated 100 6 14.0846 0.0250 3.0902 0.0388