The growth of our society, which depends largely on the information technology, is supported by the development of new functional devices and high-performance materials. With the aim to make this society more energy-efficient, healthier and safer, we currently take advantage of the K computer to conduct unprecedented simulations involving huge number of atoms (in orders of up to ten millions). The simulations are intended to investigate into relations between their electronic state and their functions/abilities for designing devices/materials which may determine our future. With the power of the post-K computer, we will accommodate more complex structures and organization of devices/materials to make simulations more comparable to reality so that practical application is possible at the industry level. We will also strive to develop new methods of designing materials by integrating large amounts of experimental data with simulation data.

• Sub-issue A: New-functionality and high-performance semiconductor devices
• Sub-issue B: Unified photonic-electronic devices
• Sub-issue C: Superconductor and new functional devices and materials
• Sub-issue D: High performance permanent magnets and magnetic materials
• Sub-issue E: Advanced structural materials
• Sub-issue F: Next-generation functional chemical substance
• Sub-issue G: Fundamental technologies for materials science simulation