<p>Microkinetic models (MKMs) have emerged as critical tools for computational design of heterogeneous catalysts. Combined with ab-initio electronic structure calculations, they enable researchers to identify potential reaction mechanisms, active sites and critical reaction intermediates, thereby providing key information that can be leveraged for catalyst design. However, there are drawbacks in typical microkinetic modeling frameworks, including underlying numerical and physical assumptions, that constrain their utility to only limited qualitative interpretations. This review provides an overview of the MKM framework, summarizes some important challenges of the approach and highlights some recent strategies that are being employed to advance the field.</p> Graphical Abstract <p></p>