 |
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 AOKI Masatoshi IMADA Hideyuki USUI Akio KITAO Hiroshi NAKATSUJI Shinobu YOSHIMURA |
Research Directors / Research Themes A Program System with Hierarchical Quantum Chemical Methods for Accurate Calculations of Biological Molecules
Masahiko HADA Professor,Graduate School of Science, Haruyuki NAKANO Professo,Graduate School of Sciencer, Henrik Koch Professor,Department of Chemistry, Hiroshi FUJII Associate Professor,Okazaki Institute for Integrative, Takehisa YAMATO Associate Professor,Graduate School of Science, Yuji SUGITA Lecturer,Institute of Molecular and Cellular Biosciences, Cheol H. Choi Assistant Professor,Department of Chemistry,
Based on highly accurate ab initio theory, we are developing novel computational methods for biological molecules with quantum mechanical (QM/QM) and molecular mechanical (QM/MM) hierarchies. Reliable and robust simulation techniques granted by the studies of low scaling and novel wave function methods along with the cultivation of new molecular properties will provide the bases of modern science and technology which enable us to study electronic states,dynamics, and properties transcending the limitation of a field.
|
