Reaction modeling workflows using ASE for transition-state search with NEB and CI-NEB, geodesic interpolation for reaction paths, scipy.integrate.solve_ivp for Arrhenius-rate microkinetic integration, RMG-Py for automated reaction network generation, and Cantera and CHEMKIN-format I/O for combustion and catalysis kinetics. Use when locating saddle points, computing rate constants, integrating microkinetic ODE systems, building reaction networks, or analyzing rate sensitivity.
