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This Deliverable (D4.2) presents comprehensive metro system optimization report towards the development of metro network and station simulation models. These models have been developed as a part of the work undertaken within Task 4.1 and Task 4.2, for the Genova AMT Metro System in Italy and the Sofia MetroS System in Bulgaria. While the hybrid approach, combining Agent Based Modelling (ABM) and Discrete Event Simulation (DES), has been widely recognised as one of the most advanced modelling approach for metro systems. The multi-level and multi-perspective simulation covering metro network, station, passenger dynamics, train vehicle interior, and platform-train interactions and utilising multiple modelling packages and scenario-based service operation optimisation further affirm the uniqueness and innovativeness of the developed models. In this framework, the scope of WP4 is providing reliable metro system simulation models to account for fluctuations in demand and support metro adaptability analysis in the successive stages of Nexus project. In addition, this deliverable is focused on the development of metro network and station models across different simulation environments in order to compare them and build an ensemble-oriented environment during the second year of the project. Additionally, this deliverable also discusses the key input parameters used in the metro station and network simulation models. The utilization of different simulation environments i.e., ExtendSim, SIMUL8, AnyLogic, accurately simulates the complex passenger dynamics and highlights various key performance indicators including but not limited to passenger flows, their travel times, queue formations and their interaction with the metros and platforms etc. The initial results show that the models are accurate and capable of well approximating the dynamics in real-world scenarios based on the input datasets provided by the Operators. Furthermore, the application of models to the case study of Genova and Sofia also demonstrate the possibility of applying the models to a variety of metro lines, from short and simple metro network to more complex metro systems, respectively. Summarizing, this deliverable discusses different approaches to metro rail service, vehicle and platform optimization oriented models, showing their capabilities and reliability. However, although this deliverable focuses on the development of simulation models and discussion of parameters to be optimized, it does not include detailed results along with the model validation and cross-validation of the models which will be examined in the second year of the NEXUS project.