Takeshi Yanai


Born April 13, 1974 in Masuda, Japan.

Professor, Institute of Transformative Bio-Molecules, Nagoya University, Japan.
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Dr. Eng., The University of Tokyo (2001); Japan Society for the Promotion of Science fellow, Pacific Northwest National Laboratory (2002) and Oak Ridge National Laboratory (2002); Postdoctoral fellow, Cornell University (2005); Associate Professor, Institute for Molecular Science (2007); Medal of the International Academy of Quantum Molecular Science (2013); Pople Medal of Asia-Pacific Conference of Theoretical and Computational Chemistry (2017); Professor; Institute of Transformative Bio-Molecule, Nagoya University (2018).

Author of:

More than 80 scientific articles.

Important Contributions:

  • Multireference wave function theory and its efficient computational implementations based on density matrix renormalization group theory and associated dynamic electron correlation methods for studying complex molecular electronic structures.
  • Density functional theory with Coulomb-attenuated hybrid functional: CAM-B3LYP.
  • Numerical solver of density functional theory using multi-resolution analysis with wavelet bases.
  • Fully relativistic electronic structure theory and its program system UTChem using Gauss type spinor basis with efficient integral algorithm.