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The design of better active materials for lithium-ion batteries (LIBs) is crucial to satisfy the increasing demand of high performance batteries for portable electronics and electric vehicles. Currently, the development of new active materials is driven by physical experimentation and the designer’s intuition and expertise. During the development process, the designer interprets the experimental data to decide the next composition of the active material to be tested. After several trial-and-error iterations of data analysis and testing, promising active materials are discovered but after long development times (months or even years) and the evaluation of a large number of experiments. Bayesian global optimization (BGO) is an appealing alternative for the design of active materials for LIBs. BGO is a gradient-free optimization methodology to solve design problems that involve expensive black-box functions. An example of a black-box function is the prediction of the cycle life of LIBs.

Shell-and-tube heat exchangers, commonly referred to as radiators, are the most prevalent type of heat exchanger within the automotive industry. A pivotal goal for automotive designers is to increase their thermal effectiveness while mitigating pressure drop effects and minimizing the associated costs of design and operation. Their design is a lengthy and intricate process involving the manual creation and refinement of computer-aided design (CAD) models coupled with iterative multi-physics simulations. Consequently, there is a pressing demand for an integrated tool that can automate these discrete steps, yielding a significant enhancement in overall design efficiency. This work aims to introduce an innovative automation tool to streamline the design process, spanning from CAD model generation to identifying optimal design configurations. The proposed methodology is applied explicitly to the context of shell-and-tube heat exchangers, showcasing the tool's efficacy.

In the last years, lithium-ion batteries (LIBs) have become the most important energy storage system for consumer electronics, electric vehicles, and smart grids. A LIB is composed of several unit cells. Therefore, one of the most important factors that determine the performance of a LIB are the characteristics of the unit cell. The design of LIB cells is a challenging problem since it involves the evaluation of expensive black-box functions. These functions lack a closed-form expression and require long-running time simulations or expensive physical experiments for their evaluation. Recently, Bayesian optimization has emerged as a powerful gradient-free optimization methodology to solve optimization problems that involve the evaluation of expensive black-box functions. Bayesian optimization has two main components: a probabilistic surrogate model of the black-box function and an acquisition function that guides the optimization.