Takeshi Yanai

Principal Investigator, Professor

The research group of Takeshi Yanai focuses on theoretical and computational investigation to describe chemical nature and reactivities of molecular systems by means of quantum chemistry (QC) calculations. The heart of chemistry lies in transformation of molecules. We view transformative molecules as what gives rise to beneficial transformations in chemistry, such as chemical reactions, functioning molecular properties, and so forth. The primal goal of our lab is to figure out mechanisms and principles of chemical transformation phenomena from the viewpoint that they are essentially driven by the role of electrons. In order to carry out this objective, our focus is also directed to investigation to develop advanced theory and algorithms of QC calculations, which are aimed at becoming tools that play a key role in synthetically developing the transformative molecules.

Profile

1997B.S.; The University of Tokyo(Applied Chemistry)
1999M.S.; The University of Tokyo(Applied Chemistry)
2001Dr. Eng.; The University of Tokyo (Applied Chemistry)
1999-2002JSPS Research Fellow DC1;The University of Tokyo
2002-2003 JSPS Research Fellow PD; Pacific Northwest National Laboratory and Oak Ridge National Laboratory, USA
2002-2003 Visiting postdoctoral fellow; Pacific Northwest National Laboratory, USA
2003-2005 Postdoctoral fellow; Oak Ridge National Laboratory, USA
2005-2006 Postdoctoral fellow; Chemistry and Chemical Biology, Cornell University, USA
2007-2018 Associate Professor; Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, National Institutes of Natural Sciences, Japan
2017-present JST PRESTO Researcher
2018-present Professor; WPI-ITbM, Nagoya University