Computational Materials for Energy Technology

Our work is rooted in both fundamental and applied research. We aim to understand and model the electrochemical and mechanical behavior of advanced materials to improve the performance and reliability of energy systems. Our research centers on developing thermodynamically consistent variational theories to elucidate the microstructure-property relationships in materials used for energy storage, conversion, and structural applications. Using state-of-the-art computational techniques—such as phase-field modeling, thermodynamic and kinetic databases, finite element, and finite volume analysis—we study the microstructural evolution of materials. This helps us optimize the properties of materials under thermal, electromagnetic, mechanical, and chemical stimuli.