My research focuses on an understanding of ion transport mechanisms in fast ion conductors employing molecular dynamics simulation. Solid fast ion conductors have found potential interest in battery electrolytes for all-solid-state battery due to their high ionic conductivity comparable to liquid electrolytes. The microscopic level understanding is the wealth of designing superior materials. Molecular dynamics simulation has been playing a significant role to bring out valuable microscopic details. However, the molecular dynamics simulation is very sensitive to the interaction potential. Thus, very accurate interaction potential is key in this method.