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Adopted FY2005 Shuji OGATA Atushi OSHIYAMA Masaki SATOH Toshikazu TAKADA Keiko TAKAHASHI Seiichiro TEN-NO Kimihiko HIRAO Mitsuhiro MATSU'URA Adopted FY2006 Masataka NAGAOKA Hiroyasu HASUMI Masahiko MACHIDA Masuhiro MIKAMI Keiji MOROKUMA Yasuhiro YAMANAKA Ryoichi YAMAMOTO Adopted FY2007 Yuriko AOKIi Masatoshi IMADA Hideyuki USUI Akio KITAO Hiroshi NAKATSUJI Shinobu YOSHIMURA |
Research Directors / Research Themes High-accuracy hierarchical and many-body schemes for materials simulations
Based on the density functional theory and theories for strongly correlated electrons, we innovate first-principles simulation methods by accurately estimating Coulomb interaction effects. Hierarchies in multi energy scale and diversity of material properties generated by competitions of kinetic and interaction energies will be elucidated. We will replace the "single-particle approximation", which has played a key role in semiconductor electronics, with many-body quantum simulation methods, by which enable us to clarify "quantum and macroscopically collective behavior" and "giant response" generated by strong electron correlations.
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