1. To understand the high-pressure phases of metal hydrides.
2. To analyze the electronic properties, including crystal structures, electronic density of states, band structures and chemical bonds, of metal hydrides under extreme conditions.
3. To analyze the mechanical properties of metal hydrides under extreme conditions.
4. To understand hydrogen storage mechanism of H atoms in primitive cell of host hydride.
5. To obtain novel information from this work about hydrogen storage properties.
6. To publish new knowledge in the international publications.
