Tackling the Temporal Stiffness of Kinetic Monte Carlo Simulations of Well-Mixed Chemical Systems via On-the-Fly Scaling and Cost-Error Optimization.

For this reason, we carefully chose a benchmark system (a) with a good level of complexity, (b) with rich dynamic features, such as oscillations, which must not be distorted by the downscaling procedure, (c) in which the stiffness arises from pairs of reversible reactions, and (d) that is of practical interest to multidisciplinary fields. Regarding point (d), we also note that in biological systems, where the number of interacting molecules is typically low, stochastic effects may be significant for the evolution of the system. 32 , 33 Taking into consideration the above points, we have chosen a biological oscillator that mimics the cell cycle as our benchmark system.

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