Contemporary ergonomics problems are increasing in scale, ambition, and complexity. Understanding and creating solutions for these multi-faceted, dynamic, and systemic problems challenges traditional methods. Computational modelling approaches can help address this methodological shortfall. We illustrate this potential by describing applications of computational modelling to: (1) teamworking within a multi-team engineering environment; (2) crowd behaviour in different transport terminals; and (3) performance of engineering supply chains. Our examples highlight the benefits and challenges for multi-disciplinary approaches to computational modelling, demonstrating the need for socio-technical design principles. Our experience highlights opportunities for ergonomists as designers and users of computational models, and the instrumental role that ergonomics can play in developing and enhancing complex socio-technical systems. Recognising the challenges inherent in designing computational models, we reflect on practical issues and lessons learned so that computational modelling and simulation can become a standard and valuable technique in the ergonomists’ toolkit. @en