At Purdue University, the Canepa Research Lab designs materials for energy storage from first principles.

We use and develop computational materials science methods to answer pressing questions in materials science and chemistry, with a direct impact on society.

Combining multiscale calculations, starting from accurate electronic-structure methods, with thermodynamics, electrochemistry and supercomputing, we elucidate why materials behave as they do and design better ones: electrodes, electrolytes and their interfaces for rechargeable batteries, organic electroactive materials, and porous frameworks for gas storage and separation. We release our methods as open-source codes.