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Takeshi Yanai

Takeshi Yanai

D-Index & Metrics

Chemistry

D-Index
46
Citations
27874
World Ranking
15832
National Ranking
1247

Overview

Takeshi Yanai is affiliated with Nagoya University in Japan and has contributed extensively to fields including Materials Science and Chemistry. Their research spans key subfields such as Materials Chemistry, Organic Chemistry, Atomic and Molecular Physics and Optics, Molecular Biology, and Electrical and Electronic Engineering.

Their scholarly output includes significant work on topics involving Crystallization and Solubility Studies, X-ray Diffraction in Crystallography, Photochemistry and Electron Transfer Studies, Spectroscopy and Quantum Chemical Studies, Photosynthetic Processes and Mechanisms, Radical Photochemical Reactions, and Advanced Chemical Physics Studies.

Frequently published venues for their research include:

  • The Cambridge Structural Database
  • The Journal of Chemical Physics
  • Angewandte Chemie International Edition
  • Angewandte Chemie
  • Journal of the American Chemical Society

Frequent co-authors associated with Takeshi Yanai are:

  • Kazuhiro J. Fujimoto
  • Quan Manh Phung
  • Shigehiro Yamaguchi
  • Naoto Inai
  • Masaya Hagai

Recent publications showcasing the scope of their research include:

  • "Fluorescent Organic π-Radicals Stabilized with Boron: Featuring a SOMO-LUMO Electronic Transition," 2022, Angewandte Chemie International Edition
  • "Impact of Hydrophobic/Hydrophilic Balance on Aggregation Pathways, Morphologies, and Excited-State Dynamics of Amphiphilic Diketopyrrolopyrrole Dyes in Aqueous Media," 2022, Journal of the American Chemical Society
  • "Donor-acceptor-acceptor-type near-infrared fluorophores that contain dithienophosphole oxide and boryl groups: effect of the boryl group on the nonradiative decay," 2021, Chemical Science
  • "Artificial Neural Networks Applied as Molecular Wave Function Solvers," 2020, Journal of Chemical Theory and Computation
  • "Desulfonylative Coupling of Alkylsulfones with gem-Difluoroalkenes by Visible-Light Photoredox Catalysis," 2022, ACS Catalysis

The range of these publications reflects a focus on advanced chemical systems, including photophysical properties of organic radicals, molecular aggregation in aqueous environments, design of near-infrared fluorophores, computational approaches to molecular wave functions, and catalytic processes facilitated by photoredox catalysis.

Best Publications

  • A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

    Takeshi Yanai;David P Tew;Nicholas C Handy

  • A long-range correction scheme for generalized-gradient-approximation exchange functionals

    Hisayoshi Iikura;Takao Tsuneda;Takeshi Yanai;Kimihiko Hirao

  • A long-range-corrected time-dependent density functional theory

    Yoshihiro Tawada;Takao Tsuneda;Susumu Yanagisawa;Takeshi Yanai

  • A pentanuclear iron catalyst designed for water oxidation

    Masaya Okamura;Mio Kondo;Reiko Kuga;Yuki Kurashige;Yuki Kurashige

  • Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene

    Debashree Ghosh;Johannes Hachmann;Takeshi Yanai;Garnet Kin-Lic Chan

  • Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer

    Yuki Kurashige;Takeshi Yanai

  • Multiresolution quantum chemistry: basic theory and initial applications.

    Robert J. Harrison;George I. Fann;Takeshi Yanai;Zhengting Gan

  • Entangled quantum electronic wavefunctions of the Mn 4 CaO 5 cluster in photosystem II

    Yuki Kurashige;Garnet Kin-Lic Chan;Takeshi Yanai

  • Canonical transformation theory for multireference problems

    Takeshi Yanai;Garnet Kin-Lic Chan

  • High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds.

    Yuki Kurashige;Takeshi Yanai

  • Coherent singlet fission activated by symmetry breaking

    Kiyoshi Miyata;Yuki Kurashige;Yuki Kurashige;Kazuya Watanabe;Toshiki Sugimoto;Toshiki Sugimoto

  • Density matrix renormalization group for ab initio calculations and associated dynamic correlation methods: A review of theory and applications

    Takeshi Yanai;Yuki Kurashige;Wataru Mizukami;Jakub Chalupský

  • Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory.

    Takeshi Yanai;Yuki Kurashige;Eric Neuscamman;Garnet Kin-Lic Chan

  • Multiresolution quantum chemistry in multiwavelet bases: time-dependent density functional theory with asymptotically corrected potentials in local density and generalized gradient approximations

    Takeshi Yanai;Robert J. Harrison;Nicholas C. Handy

  • Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.

    Masaaki Saitow;Yuki Kurashige;Takeshi Yanai

  • Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group

    Yuki Kurashige;Jakub Chalupský;Tran Nguyen Lan;Takeshi Yanai

  • Canonical transformation theory from extended normal ordering.

    Takeshi Yanai;Garnet Kin-Lic Chan

  • Multiresolution quantum chemistry in multiwavelet bases: Hartree–Fock exchange

    Takeshi Yanai;George I. Fann;Zhenting Gan;Robert J. Harrison

  • A new computational scheme for the Dirac–Hartree–Fock method employing an efficient integral algorithm

    Takeshi Yanai;Takahito Nakajima;Yasuyuki Ishikawa;Kimihiko Hirao

  • More π Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory

    Wataru Mizukami;Yuki Kurashige;Takeshi Yanai

  • A review of canonical transformation theory

    Eric Neuscamman;Takeshi Yanai;Garnet Kin-Lic Chan

  • Multiresolution quantum chemistry in multiwavelet bases: Analytic derivatives for Hartree-Fock and density functional theory

    Takeshi Yanai;George I. Fann;Zhengting Gan;Robert J. Harrison

Frequent Co-Authors

Garnet Kin-Lic Chan
Garnet Kin-Lic Chan California Institute of Technology
Robert J. Harrison
Robert J. Harrison Murdoch University
Gregory Beylkin
Gregory Beylkin University of Colorado Boulder
Nicholas C. Handy
Nicholas C. Handy University of Cambridge
Josef Michl
Josef Michl University of Colorado Boulder
Edward I. Solomon
Edward I. Solomon Stanford University
So Hirata
So Hirata University of Illinois at Urbana-Champaign
Tetsuya Taketsugu
Tetsuya Taketsugu Hokkaido University
Masaki Kawano
Masaki Kawano Tokyo Institute of Technology

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