torrent No.7
- Research Topics in CMSI
- New paradigm introduced by the K computer
- Search for new quantum phases in strongly-correlated quantum systems and explanation of dynamics
- Electron states and dynamics : new developments in molecular theory and integration of heat fluctuations
- Prediction of electron functions in nanostructures using the density functional approach
- Development of the molecular science of viruses through all-atom simulations
- Large-scale calculations for basic processes in fuel-cell related materials
- Mechanism of hydrogen and methane hydrate formation and dissolution and thermodynamic stability
- Development of multiscale structural design and assessment techniques to improve the performance of metallic structural materials
- Photo-induced electron dynamics in nanostructures and development of quantum devices with optical and electronic functionality
- Fundamental study for development of high-performance Li-ion battery
- Development of variational Monte Carlo method and study of quantum spin liquid
- Determination of crystal structures and interaction energies of organic conductors by massively parallel quantum chemical calculation
- Development of Car-Parrinello molecular dynamics based on real-space density functional theory
- Free energy calculation combined with molecular dynamics simulation
- Elucidation of interface reactions between water and electrode metal by large-scale simulation
- Microscopic mechanism of dissociation process of methane hydrate
- First-principles calculations of iron-MX interfaces (M=transition-metal; X= C, N): the perspective of local energy and local stress
- Report: the 3rd CMSI Workshop
- Research Topics in CMSI
- New paradigm introduced by the K computer
- Search for new quantum phases in strongly-correlated quantum systems and explanation of dynamics
- lectron states and dynamics : new developments in molecular theory and integration of heat fluctuations
- Development of the molecular science of viruses through all-atom simulations
- Mechanism of hydrogen and methane hydrate formation and dissolution and thermodynamic stability
- Development of multiscale structural design and assessment techniques to improve the performance of metallic structural materials
- Large-scale calculations for basic processes in fuel-cell related materials
- Photo-induced electron dynamics in nanostructures and development of quantum devices with optical and electronic functionality
- Fundamental study for development of high-performance Li-ion battery
- Development of variational Monte Carlo method and study of quantum spin liquid
