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Development of the molecular science of viruses through all-atom simulations
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
Search for new quantum phases in strongly-correlated quantum systems and explanation of dynamics
Research Topics in CMSI
New paradigm introduced by the K computer
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
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