At Purdue University, the Canepa Research Lab works on the design of materials from first-principles methodologies.

We apply and develop computational methods to advance our understanding of material properties for energy storage and conversion. Our research leverages the synergy among materials science, thermodynamics, electrochemistry, and supercomputing to discover novel materials and molecules. The models developed through our research support the rational design of clean-energy technologies, including battery electrode materials, ionic conductors, and liquid electrolytes for energy-dense, sustainable energy-storage systems.