Materials Design through Computics: Complex Correlation and Non-equilibrium Dynamics - Scientific Research on Innovative Areas, a MEXT Grant-in-Aid Project FY2010-2014


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Research Projects in 2011 - 2012

The following research projects are currently being carried out as part of this Project.

A01: Algorithms for large-scale physical calculation with novel numerical methods
(Leader) Takeo Hoshi, Associate Professor
Department of Applied Mathematics and Physics, Tottori University
A02: Design of Fast and Robust Random Walks for Materials Design
(Leader) Hirotaka Ono, Associate Professor
Graduate School of Economics, Kyushu University
A02: Ultrafast dynamics of the electron-phonon couplings in graphene
(Leader) Masahiro Kitajima, Professor
Department of Applied Physics, National Defense Academy of Japan
A02: Establishing practical methods for large-scale first-principles molecular-dynamics simulations based on divide-and-conquer density-functional theory
(Leader) Fuyuki Shimojo, Professor
Department of Physics, Kumamoto University
A02: Computational design of transition-metalloproteins using a de novo coiled-coil scaffold
(Leader) Yu Takano, Assistant Professor
Institute for Protein Research, Osaka University
A02: Development of Quantum Multi-Component Molecular Theory and Its Application to Material Design
(Leader) Masanori Tachikawa, Professor
Graduate School of Nanobiosystem, Yokohama-city University
A02: First principles simulation of inelastic current, local heating, and thermal dissipation processes at nano contact
(Leader) Hisao Nakamura, Senior researcher
National Institute of Advanced Industrial Science and Technology
A02: Real-time dynamics of carbon nanotube-protein complexes by ultrafast laser spectroscopy
(Leader) Muneaki Hase, Associate Professor
Institute of Applied Physics, University of Tsukuba
A02: Development and improvement of the van der Waals density functional
(Leader) Ikutaro Hamada, Assistant Professor
WPI-Advanced Institute for Materials Research, Tohoku University
A02: Epitaxial growth of Silicene; atomic sheet of Si with graphene-like hexagonal lattice
(Leader) Hiroyuki Hirayama, Professor
Tokyo Institute of Technology
A02: Development of multi-scale simulator describing high-intensity pulse light
(Leader) Kazuhiro Yabana, Professor
Center for Computational Sciences, University of Tsukuba
A03: Development of the quasiparticle self-consistent GW method based on the Wannier functions
(Leader) Takao Kotani, Professor
Department of Applied Physicis and Mathematics, Faculty of Engineering, Tottori university
A03: Quantum simulation of Si vacancies
(Leader) Mineo Saito, Professor
Institute of Science and Engineering, Kanazawa University
A03: Study on new spintronics materials and their device applications using spinodal decomposition
(Leader) Yi-Kai ZHOU, Assistant Professor
The Institute of Scientific and Industrial Research, Osaka University
A03: Self-organized Oxide Nano-spintronics
(Leader) Hidekazu Tanaka, Professor
The Institute of Scientific and Industrial Research, Osaka University
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