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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 'Realizing super-accurate predictions and giant-molecular designs: breakthrough of frontiers of quantum chemistry with innovative methodologies in computational science
Quantum principles like Schrödinger equation govern chemistry, biology and physics of matter, but have been believed to be insoluble for most actual systems for over 80 years since their birth. Recently, a general method of solving these basic equations has been discovered by us. In this project, this theory will further be advanced to realize truly predictive science and quantum chemistry with innovative methodologies in computational science. Our SAC/SAC-CI method will further be expanded to be seamlessly applicable even to giant molecular systems in the designs of photo electronic processes. Quantum Chemistry Research Institute
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