The Canepa Research Lab works on the design of materials from first-principles methodologies. Our research group is part of the Department of Materials Science and Engineering at the National University of Singapore.

We are also affiliated with the Department of Chemical Engineering.

We apply computational methods to advance the understanding of materials properties for energy storage and conversion. Our research leverages the synergy between materials science, thermodynamics, electrochemistry and the power of supercomputers for the discovery of novel materials and molecules. The models derived from our research contribute to the rational design of new materials for clean energy technologies, such as electrode materials for batteries, ionic conductors and liquid electrolytes for energy-dense and sustainable energy storage systems.

Recent papers

Theoretical Modelling of Multivalent Ions in Inorganic Hosts

Sai Gautam and Canepa 2019. Energy and Environment Series No. 23.; 10.1039/9781788016407-00079
Posted 17 Sep 2019

Fundamentals of inorganic solid-state electrolytes for batteries

Famprikis, Canepa et al. 2019. Nature Materials; 10.1038/s41563-019-0431-3
Posted 19 Aug 2019

Metal-free perovskites for non linear optical materials

Kasel and Deng et al. 2019. Chem. Sci.; 10.1039/c9sc03378e
Posted 26 Jul 2019