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Updated: Nov 26, 2025

Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
Published on: January 16, 2016
Optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs
1Institute of Fluid Science, Tohoku University, Sendai, 980-8577, Japan. morii@edyn.ifs.tohoku.ac.jp.
Abstract:
A fast and robust Jacobian-free time-integration method-called Minimum-error Adaptation of a Chemical-Kinetic ODE Solver (MACKS)-for solving stiff ODEs pertaining to chemical-kinetics is proposed herein. The MACKS formulation is based on optimization of the one-parameter family of integration formulae coupled with a dual time-stepping method to facilitate error minimization. The proposed method demonstrates higher accuracy compared to the method-Extended Robustness-enhanced numerical algorithm (ERENA)-previously proposed by the authors. Additionally, when this method is employed in homogeneous-ignition simulations, it facilitates realization of faster performance compared to CVODE.
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