Rchr
J-GLOBAL ID：201901000952853789   Update date: Oct. 31, 2024

Yagi Kiyoshi

ヤギ キヨシ | Yagi Kiyoshi
Affiliation and department：
University of Tsukuba Department of Chemistry, Institute of Pure Science

About University of Tsukuba Department of Chemistry, Institute of Pure Science


Job title： Professor
Homepage URL  (1)： https://trios.tsukuba.ac.jp/researcher/0000004981
Research field  (2)： Biophysics ,  Basic physical chemistry
Research keywords  (10)： Anharmonic Vibrational Analysis ,  QM/MM Method ,  Molecular Dynamics ,  Quantum Chemistry ,  Exicited State Dynamics ,  Fluorescent Probe ,  Polymer Materials ,  Vibrational Spectrum ,  Metalloenzyme ,  Lipid Bilayer
Research theme for competitive and other funds  (6)：
  • 2022 - 2024 Reaction dynamics of light-driven proteins studied by non-adiabatic QM/MM molecular dynamics
  • 2020 - 2023 Novel molecular design of flourophores by QM/MM molecular dynamics simulations
  • 2016 - 2018 生体分子系に対する振動状態理論の開発と応用
  • 2010 - 2010 非調和振動理論の新しい展開-水素結合クラスターへの応用
  • 2009 - 2010 水クラスターアニオンの生成機構に対する理論的研究
Show all
Papers (78)：
  • Jaewoon Jung, Kiyoshi Yagi, Cheng Tan, Hiraku Oshima, Takaharu Mori, Isseki Yu, Yasuhiro Matsunaga, Chigusa Kobayashi, Shingo Ito, Diego Ugarte La Torre, et al. GENESIS 2.1: High-Performance Molecular Dynamics Software for Enhanced Sampling and Free-Energy Calculations for Atomistic, Coarse-Grained, and Quantum Mechanics/Molecular Mechanics Models. The Journal of Physical Chemistry B. 2024
  • Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita. Learning QM/MM potential using equivariant multiscale model. The Journal of Chemical Physics. 2024
  • Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita. Learning QM/MM Potential using Equivariant Multiscale Model. 2024
  • Shingo Ito, Kiyoshi Yagi, Yuji Sugita. Allosteric regulation of beta-reaction stage I in tryptophan synthase upon the alpha-ligand binding. JOURNAL OF CHEMICAL PHYSICS. 2023. 158. 11
  • Hiroki Otaki, Shun-ichi Ishiuchi, Masaaki Fujii, Yuji Sugita, Kiyoshi Yagi. Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins. ChemRxiv. 2023. 10.26434/chemrxiv-2023-qn9rc
ｍore...
MISC (5)：
  • Detection of Lipid Clusters by Raman Spectroscopy and Computational Chemistry. 2018. 22. 3. 184-191
  • Kiyoshi Yagi, Pai-Chi Li, Koichiro Shirota, Toshihide Kobayashi, Yuji Sugita. Statistically weight averaged vibrational spectrum over molecular fragments for studying the amide I vibration of sphingomyelin bilayer. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2015. 249
  • Bo Thomsen, Kiyoshi Yagi, Yuji Sugita. Calculating the infrared spectra of the eigenion using anharmonic vibrational theory. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2015. 249
  • So Hirata, Olaseni Sode, Murat Keeli, Kiyoshi Yagi, Jinjin Li. Response to "Comment on 'Fermi resonance in solid CO2 under pressure'" [J. Chem. Phys. 140, 177101 (2014)]. JOURNAL OF CHEMICAL PHYSICS. 2014. 140. 17
  • So Hirata, Olaseni Sode, Murat Keceli, Kiyoshi Yagi. Predictive chemical computing in condensed phases. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2009. 237
Education (3)：
  • 2001 - 2004 University of Tokyo School of Engineering Department of Applied Chemistry
  • 1999 - 2001 University of Tokyo School of Engineering Department of Applied Chemistry
  • 1995 - 1999 University of Tokyo Faculty of Engineering Department of Applied Chemistry
Professional career (1)：
  • Ph. D in Chemistry (University of Tokyo)
Work history (7)：
  • 2024/08 - 現在 University of Tsukuba Department of Chemistry, Institute of Pure and Applied Sciences Professor
  • 2015/04 - 2024/07 RIKEN Theoretical Molecular Science Laboratory Senior Research Scientist
  • 2012/12 - 2015/03 RIKEN Theoretical Molecular Science Laboratory Research Scientist
  • 2011/04 - 2012/11 University of Illinois at Urbana-Champaign Department of Chemistry Visiting Research Assistant Professor
  • 2009/04 - 2011/04 University of Yamanashi Fuel Cell Nanomaterials Center Lecturer
Show all
Awards (2)：
  • 2022/03 - RIKEN RIKEN Eiho Award
  • 2015/09 - Japan Society for Molecular Science Young Scientists Award Development of Molecular Vibrational Structure Theory with an Explicit Account of Anharmonicity
Association Membership(s) (7)：
THE BIOPHYSICAL SOCIETY OF JAPAN ,  Japan Society of Theoretical Chemistry ,  PROTEIN SCIENCE SOCIETY OF JAPAN ,  THE SPECTROSCOPICAL SOCIETY OF JAPAN ,  JAPAN SOCIETY FOR MOLECULAR SCIENCE ,  AMERICAN CHEMICAL SOCIETY ,  THE CHEMICAL SOCIETY OF JAPAN
※ Researcher’s information displayed in J-GLOBAL is based on the information registered in researchmap. For details, see here.

Return to Previous Page

TOP

BOTTOM