事例・論文
Development and control of spin texture by band engineering using quantum-well state
ISSP Activity Report 2018…続きを読む
Coarse grained MD simulation for fracture and reinforcement of polymer materials
Activity Report 2017…続きを読む
ABINIT
Open-source package for first-principles calculation based on pseudo-potential and plane-wave basis. This package performs various electronic-state calculation by density functional theory such as band calculation of solids, and structure optimization of surfaces/interfaces. Detailed tutorials and documents are well prepared in this package, and many physical quantities including chemical reaction and lattice vibration can be obtained easily.