Computational mathematics, science and engineering have been rapidly growing and matching multidisciplinary areas with connections to business, economics, engineering and computer science through industry as well as academia to understand and solve complex problems. On the other hand, the current projections of the rapid growth rate in energy consumption and vehicle use raise the worldwide dilemma of greenhouse gas emissions and relevant climate change impacts. Fuel, energy and the consequent environment labels are being affixed to modern renewable energy sources (RESs) and new automotive system technologies. To cope with the global energy and environmental challenges, the rapid development of the novel energy technologies of energy storage systems (ESSs) should follow particular and aspired research potential. The criteria for selecting solutions for the RE storage and the relevant necessary energy management are still under debate, both for stationary and mobile applications. Hybrid vehicles or renewable energy systems with multiple sources/storages/devices require an efficient energy optimization and control accompanied with adequate computational time considering different subsystems dynamics and inter-impacts. For this purpose, different studies on general philosophy of systems simulation and their modeling, with relevant applied mathematics, become of particular interest. Different Methodological approaches and various computational methods for both control optimization have been innovatively employed in order to attain the most efficient energy management defined objectives. In this special issue, various applied mathematical tools have been developed to be method innovator for reaching the most desired results. Additionally, the development of numerical analysis means and relevant mathematical simulation algorithms for solving such complex hybrid energy systems has attracted more researchers interested in mathematical and energy studies.