Research keywords (4):
電子伝播関数
, 分子軌道法
, electron propagator
, Morecular orbital theory
Research theme for competitive and other funds (10):
2019 - 2024 スピン対称化ハートリー-フォック法による化学結合のパラダイムシフト
2016 - 2019 Development of two-electron propagator using multi-reference system
2014 - 2017 Study on Dioxygen Reduction Mechanism by Multicopper Oxidases and Application of Function Modulated Mutants as Electrode Catalyst
2014 - 2017 Development of solid proton conducting materials based on local structure analysis
2012 - 2015 Improved electron propagator method for multi-ionic states of molecule
2011 - 2014 Investigation of high proton conduction mechanism associated with molecular dynamics in solid electrolyte
2006 - 2007 DEVELOPMENT OF THEORETICAL SURFACE SPECTRAL APPARATUS
2006 - 2007 新規固体核磁気共鳴シミュレーション解析法による配位空間の研究
2003 - 量子論に基づく分子の電子構造に関する研究
2003 - Electronic structure of molecule in field of quantum theory
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Papers (17):
Natsuki Watanabe, Yuta Hori, Hiroki Sugisawa, Tomonori Ida, Mitsuo Shoji, Yasuteru Shigeta. A machine learning potential construction based on radial distribution function sampling. Journal of Computational Chemistry. 2024
Yuta Hori, Shun Dekura, Yoshiya Sunairi, Tomonori Ida, Motohiro Mizuno, Hatsumi Mori, Yasuteru Shigeta. Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics. The Journal of Physical Chemistry Letters. 2021. 12. 22. 5390-5394
Fang Han Lim, Tomonori Ida, Mona Berciu. Route to phonon-mediated high-Temperature unconventional superconductivity. Physical Review B. 2021. 103. 6
Yuta Hori, Toshiya Suetake, Yasuteru Shigeta, Tomonori Ida, Motohiro Mizuno. Molecular motions of imidazole in poly(vinylphosphonic acid)-imidazole composites investigated by molecular dynamics simulations. Chemistry Letters. 2021. 50. 1. 17-20