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.
Butler et al. 2019, npj Comp. Mater.; 10.1038/s41524-019-0160-9
Posted 15 Feb 2019
Chen et al. 2019. Front. Chem.; 10.3389/fchem.2019.00024
Posted 30 Jan 2019
Meutzner et al. 2018. Phys. Sci. Rev.; 10.1515/psr-2018-0044
Posted 2 Oct 2018