Solid state Li-ion conductors and all solid state battery materials․

All solid state batteries (ASSB), with solid state electrolytes (SSE), open a floodgate of prospective characteristic properties for future energy storage systems. Although, known solid state electrolytes (sulfide, oxides, borates, and so on) do not satisfy all performance requirements, such as high ion conductivity or compatibility with anode materials, for wide implementation in various applications. Now, the major effort is to find novel solid state electrolytes. In contrast to experimental methods, computational methods can drastically accelerate novel material search. The goal of the project is to perform computational search for novel solid state electrolytes using data mined structure prediction, machine learning and evolutionary structure prediction algorithms.