[Keitaro Sodeyama] Materials design of electrolytes based on the DFT-MD simulation and informatics science.

Research Director

Keitaro Sodeyama

Keitaro Sodeyama

Center for Materials Research by Information Integration (cMi2),
Research and Services Division of Materials Data and Integrated System (MaDIS),
National Institute for Materials Science (NIMS)
Senior researcher


Developments of new electrolyte materials are highly demanded for the future high performance Lithium-ion batteries (LIB). In this project, materials design of electrolytes is carried out with highly accurate density functional theory based molecular dynamics simulation (DFT-MD) and data driven informatics science technique. We will search not only the conventional dilute electrolyte but also the highly concentrated Li-salt electrolyte, which is a new concept of the LIB electrolyte. Through this project, we construct a new materials design strategy for liquids.

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