Locomotive design is a highly complex task that requires the use of systems engineering that depends upon knowledge from a range of disciplines and is strongly oriented on how to design and manage complex systems that operate under a wide range of different train operational conditions on various types of tracks. Considering that field investigation programs for locomotive operational scenarios involve high costs and cause disruption of train operations on real railway networks and given recent developments in the rollingstock compliance standards in Australia and overseas that allow the assessment of some aspects of rail vehicle behaviour through computer simulations, a great number of multidisciplinary research studies have been performed and these can contribute to further improvement of a locomotive design technique by increasing the amount of computer-based studies. This paper was focused on the presentation of the all-important key components required for locomotive studies, starting from developing a realistic locomotive design model, its validation and further applications for train studies. The integration of all engineering disciplines is achieved by means of advanced simulation approaches that can incorporate existing AC and DC locomotive designs, hybrid locomotive designs, full locomotive traction system models, rail friction processes, the application of simplified and exact wheel-rail contact theories, wheel-rail wear and rolling contact fatigue, train dynamic behaviour and in-train forces, comprehensive track infrastructure details, and the use of co-simulation and parallel computing. The co-simulation and parallel computing approaches that have been implemented on Central Queensland University’s High-Performance Computing cluster for locomotive studies will be presented. The confidence in these approaches is based on specific validation procedures that include a locomotive model acceptance procedure and field test data. The problems and limitations presented in locomotive traction studies in the way they are conducted at the present time are summarised and discussed.