The IFCS group is working on theoretical/computational/data-driven AI researches on microscopic mechanisms of energy and environmental issues associated with battery, solar cell and catalyst. We are discussing novel theories/computational methods/data-driven AI techniques for those problems as well as update experimental findings in physics, chemistry and materials science. In particular, we focus on quantitative simulations of electrochemical (redox) phenomena at solid/liquid and solid/solid interfaces on the atomic and electronic scales, materials search with cutting-edge machine-learning techniques, and development of analysis techniques/tools for static and dynamic properties of solid-state materials.
With these researches, we aim at proposing more efficient systems for energy and environmental issues from theoretical side.