MoChA: Modeling, Characterization and Analytics in Electrochemical Energy Systems

E lectrochemical energy storage and conversion systems have emerged as pivotal technologies supporting the diversification of energy infrastructure across grid storage, transportation and industrial sectors. [1][2]2][3][4][5][6][7] At their core lies a complex interplay of charged species transport and energy flow through dynamic chemical and material environments and electrochemically reactive interfaces. 8Advancing the performance, efficiency and reliability of these systems hinges on resolving persistent challenges such as degradation of materials and interfaces, kinetic bottlenecks in charge transport, and the need for materials that balance performance with sustainability. 9,10Unraveling these complex, multiscale dynamics necessitates a multifaceted approach that combines cutting-edge techniques for real-time observation, comprehensive analysis and predictive modeling.In this article, we underscore Modeling, Characterization, and Analytics as the three pillars of electrochemical sciences and engineering, and introduce their integration, 'MoChA', as a holistic paradigm for addressing scientific challenges at scales in electrochemical energy storage and conversion.Multiphysics modeling provides a deep understanding of coupled electrochemo-mechanical processes bridging length scales from atomic and continuum scale to system-level performance.Characterization offers powerful tools to decode fundamental spatiotemporal reactions and structural changes and visualize critical degradation mechanisms.Analytics transforms raw data into actionable knowledge through data-driven frameworks, enabling predictive diagnostics by aggregating experimental and simulation data sets to uncover hidden correlations linking material properties to device performance.By connecting mechanisms, functionalities, materials synthesis, and rational design, MoChA serves as an all-encompassing approach that enhances the efficiency, performance, and cost-effectiveness of electrochemical energy systems.