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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