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[EN] Knock is a major bottleneck to achieving higher thermal efficiency in spark-ignited (SI) engines. The overall tendency to knock is highly dependent on fuel anti-knock quality as well as engine operating conditions. It is, therefore, critical to gain a better understanding of fuel-engine interactions in order to develop robust knock mitigation strategies. In the present work, a numerical model based on three-dimensional (3-D) computational fluid dynamics (CFD) was developed to capture knock in a Cooperative Fuel Research (CFR) engine. For combustion modeling, a hybrid approach incorporating the G-equation model to track turbulent flame propagation, and a homogeneous reactor multi-zone model to predict end-gas auto-ignition ahead of the flame front and post-flame oxidation in the burned zone, was employed. In addition, a novel methodology was implemented wherein a laminar flame speed lookup table generated a priori from a chemical kinetic mechanism could be used to provide flame speed as an input to the G-equation model, instead of using conventional empirical correlations. Multi-cycle Reynolds-Averaged Navier Stokes (RANS) simulations were performed for two different spark timings (STs) corresponding to non-knocking and knocking conditions, with other operating conditions kept the same as those of a standard Research Octane Number (RON) test. Iso-octane was considered as the fuel for the numerical study. Two different reduced kinetic mechanisms were employed to describe end-gas auto-ignition chemistry and to generate the flame speed lookup table. Experimental data, including intake/exhaust boundary conditions, was provided by a spark timing sweep study conducted in an in-house CFR engine. Moreover, cylinder wall/valve/port surface temperatures and residual gas fraction (RGF) were estimated using a well-calibrated one-dimensional (1-D) model. On the other hand, a novel methodology was also developed to analyze experimental data for the knocking case and identify