High-speed microjet hydrogen–air diffusion flames are investigated computationally. The focus is on the prediction of the so-called bottleneck phenomenon. The latter has been previously observed as a specific feature of the present flame class and has not yet been investigated computationally. In the configuration under consideration, the nozzle diameter is 0.5 mm and six cases with mean nozzle injection velocities (U) between 306 m/s and 561 m/s are considered. The flow in the nozzle lance is analyzed separately to obtain detailed inlet boundary conditions for the flame calculations. It is confirmed by calculation that the phenomenon is mainly determined by the transition to turbulence in the initial parts of the free jet. The transitional turbulence proves to be the biggest challenge in predicting this class of flames, as the generally available turbulence and turbulent combustion models reach the limits of their validity in transitional flows. In a Reynolds-Averaged Numerical Simulation framework, the Shear Stress Transport model is found to perform better than alternative two-equation models and is used as the turbulence model. By neglecting the interactions between the turbulence and chemistry (no-model approach), it is possible to predict the morphology of the bottleneck flame and its dependence on U qualitatively. However, the position of the bottleneck is overpredicted for U < 561 m/s. The experimental flames in the considered U range are all attached to the nozzle. This is also predicted by the no-model approach. The Eddy Dissipation Concept (EDC) used as the turbulence combustion model predicts, however, lifted flames (with increasing lift-off height as U decreases). With the EDC, no bottleneck morphology is observed for U = 561 m/s. For lower U, the EDC results for the bottleneck position are generally closer to the measurements. It is demonstrated that accuracy in predicting the bottleneck position can be improved by ad hoc modifications of the turbulent viscosity.