Takayanagi Masayoshi

タカヤナギマサヨシ | Takayanagi Masayoshi

Affiliation and department：

Research field (3)： Biophysics , Polymer chemistry , Basic physical chemistry

Research theme for competitive and other funds (1)：

2019 - 2022 Integration of computational chemistry and machine learning for quantitative prediction of microscopic properties of polymers

Papers (27)：

Naozumi Fujiwara, Ryuichi Seki, Masanobu Sato, Yasutoshi Okuno. Amorphous SiO2 Surface Irregularities and their Influence on Liquid Molecule Adsorption by Molecular Dynamics Analysis. ECS Journal of Solid State Science and Technology. 2023
Zizhen Rao, Masayoshi Takayanagi, Masataka Nagaoka. Verification for Temperature Dependence of Tacticity in Polystyrene Radical Polymerization with the Combination of Reaction Pathway Analysis and Red Moon Methodology. The Journal of Physical Chemistry B. 2022
Masayoshi Takayanagi, Mutsumi Yoshino, Genta Kikuchi, Tomoko Kanke, Noriyuki Suzuki. Autonomous adaptive control of manufacturing parameters based on local regression modeling. Behaviormetrika. 2022
Taku Sawayama, Yubo Wang, Tomohisa Watanabe, Masayoshi Takayanagi, Takuya Yamamoto, Nobuhiko Hosono, Takashi Uemura. Metal-Organic Frameworks for Practical Separation of Cyclic and Linear Polymers. Angewandte Chemie International Edition. 2021. 60. 21. 11830-11834
Zizhen Rao, Masayoshi Takayanagi, Masataka Nagaoka. Ab Initio Quantitative Prediction of Tacticity in Radical Polymerization of Poly(methyl methacrylate) by a Molecular Simulation Technique with the Conformation Indexing for Multiple Transition States. The Journal of Physical Chemistry C. 2020. 124. 31. 16895-16901

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MISC (1)：

Kentaro Matsumoto, Masayoshi Takayanagi, Yuichi Suzuki, Nobuaki Koga, Masataka Nagaoka. Atomistic chemical computation of Olefin polymerization reaction catalyzed by (pyridylamido)hafnium(IV) complex: Application of Red Moon simulation. J. Comp. Chem. 2018

Books (4)：

Lectures and oral presentations (71)：

An active site opening mechanism in ion pair of (pyridylamide)Hf(IV) catalyst: An associative mechanism
(2017)
密度汎関数法計算に基づくラジカル重合反応シミュレーションによるポリメタクリル酸メチル立体規則性の解析
(日本化学会第97春季年会(2017) 2017)
Anisotropic behavior of methyl methacrylate monomers in nanochannels of porous coordination polymers
(The 4th International Conference on Molecular Simulation (ICMS2016) 2016)
Active site opening mechanism in olefin polymerization reaction catalyzed by (pyridylamide)Hf(IV) complex
(The 4th International Conference on Molecular Simulation (ICMS2016) 2016)
Theoretical Study on Behaviors of Host PCP and Guest Methyl Methacrylate toward Understanding Tacticity Control Mechanism
(International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems 2016 (MSCRS2016) 2016)

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Education (3)：

2004 - 2009 Nagoya University Graduate School of Information Science Department of Complex Systems Science
2002 - 2004 Nagoya University Graduate School of Human Informatics Division of Informatics for Sciences
1999 - 2002 Nagoya University School of Informatics and Sciences Department of Natural Science Informatics

Professional career (1)：

Work history (10)：

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Awards (5)：

2016/10 - The 4th International Conference on Molecular Simulation (ICMS2016) Sinopec Best Poster Award Active site opening mechanism in olefin polymerization reaction catalyzed by (pyridylamide)Hf(IV) complex
2016/05 - 第19回理論化学討論会優秀ポスター賞 (pyridylamide)Hf(IV)錯体の活性化機構におけるイオンペア解離過程の分子動力学的研究
2011/07 - Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC POSTER PRIZE Incipient Structural Relaxation Process of Photolyzed Carbonmonoxy Myoglobin: Statistical Analysis by Perturbation Ensemble Method
2010/11 - 第24回分子シミュレーション討論会ポスター賞アンサンブル分子動力学計算による溶液中グロビンタンパク質緩和過程の理論的研究
2009/12 - 第21回分子シミュレーション討論会学生ポスター賞光解離MbCOに生じるclamshell rotationの高分解能解析

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