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.
Posted 21 Dec 2022 by Piero
Posted 5 Dec 2022 by Piero
Posted 28 Feb 2022 by Piero
van der Lubbe S. et al., npj Comput Mater 9, 175 (2023); 10.1038/s41524-023-01126-0
Posted 26 Sep 2023
Evans H. A. et al., J. Am. Chem. Soc. (2023); 10.1038/s41524-023-01126-0
Posted 28 Aug 2023
Wang Z., Mishra T., Xie W., Gautam G. S., Cheetham A., and Canepa P., ACS Materials Lett., (2023).; 10.1021/acsmaterialslett.3c00610
Posted 14 Aug 2023