[JALEM Randy] Database-driven Search, Selection and Evaluation of New Li Ion Conductive Ceramics for Li Ion Battery Application by Combining Materials Simulations and Informatics

Research Director

JALEM Randy

JALEM Randy

Interface Computational Science (IFCS) Group,
Center for Green Research on Energy and Environmental Materials (GREEN),
National Institute for Materials Science (NIMS)
Researcher

Outline

The development and discovery of new and high-performance Li ion conductive ceramics are crucial for the realization of next-generation Li ion batteries. Materials simulations and materials informatics can be employed in order to speed up their search and can enable the screening of thousands of compounds with respect to various battery property criteria. In this work, an informatics-based computational search for new Li ion conductive ceramics will be carried out, leveraging from the knowledge pool provided by crystal structure databases and then extending to “non-stoichiometry” chemical search space.

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