Materials Project Releases Massive Trove of Battery and Molecule Data

The Materials Project, a Google-like database of material properties aimed at accelerating innovation, has released an enormous trove of data to the public, giving scientists working on fuel cells, photovoltaics, thermoelectrics and a host of other advanced materials a powerful tool to explore new research avenues. Two new sets of data were released last month: nearly 1,500 compounds investigated for multivalent intercalation electrodes and more than 21,000 organic molecules relevant for liquid electrolytes as well as a host of other research applications. Batteries with multivalent cathodes (which have multiple electrons per mobile ion available for charge transfer) are promising candidates for reducing cost and achieving higher energy density than that available with current lithium-ion technology.  Co-founded and directed by Kristin Persson, the Materials Project data was produced by utilizing millions of CPU-hrs  at the National Energy Research Scientific Computing Center (NERSC) which also hosts the data and web site of the Project. The article on this work in the  Lawrence Berkeley National Laboratory News releases.