Abstract: A computer-implemented method and corresponding system perform generative design of an energy storage device. The method automatically builds at least one model of the energy storage device. The building is based on a design parameter space and employs a machine learning process. The method automatically performs a simulation of the energy storage device using the design parameter space, a design evaluation space, and the at least one model built. The performing produces at least one prediction. The method automatically evolves at least one of (i) the design parameter space and (ii) the design evaluation space. In an event the at least one prediction indicates that a product design objective or model design objective has been achieved, the method automatically converges on the design parameter space evolved, thereby completing a generative design of the energy storage device and, otherwise, repeats the building, performing, and evolving.