Aoki Yuriko

アオキユリコ | Aoki Yuriko

Affiliation and department：
Research theme for competitive and other funds (27)：

2020 - 2025 Development of DYASIN: Novel Approach to Enantioenriched Chiral Molecules
2020 - 2023 機能性高分子材料設計のためのミクロ~メソ・マルチスケール量子シミュレータの開発
2016 - 2020 Development of ELG-RP-TS method for efficient transition state controle in polymerization reactions
2016 - 2019 Theoretical Study on Relation of Base sequence and Electronic Structures toward Elucidation of Mechanism of DNA Electric Conductivity.
2013 - 2016 生体反応機構および協同現象解明のための大規模系局所振動解析の開発

2011 - 2016 Quantum chemistry method with electron correlation effect for the analysis of the cooperative molecular recognition process in DNA

2013 - 2013 DNA複製機構解析のためのモンテカルロElongation最適化ハイブリッド法

2009 - 2011 フラーレン・ナノチューブ系ナノワイヤデバイスの超効率的理論設計法とその応用

2009 - 2011 Highly accurate electronic states dynamics for mechanism analysis of electron and proton transfers in proteins

2007 - 2010 Study on theoretical chemistry to the relationship between DNA sequence and electronic conductivity.

2007 - 2009 擬一次元混合原子価金属錯体の有機無機複合化による新規機能性発現の理論的研究

2007 - 2008 大規模系の非線形光学材料設計のための時間依存Hartree-Fockアプローチ

2006 - 2008 分子性固体の光物性予測のためのオーダーN量子分子動力学法の開発

2006 - 2008 超効率的超分極率計算方法の開発と周期性および非周期性巨大ナノ系への応用

2004 - 2006 ナノ系の化学反応性と電子構造に関する量子化学的方法論の開発と応用

2004 - 2006 溶液中タンパク質におけるtrough-bond電子移動経路の定量的評価方法の構築

2002 - 2005 Parallel synthesis method of the electronic structures for proteins/nucleic acids and the development of the analytic system of their structures and functions

2001 - 2002 分子・高分子・固体の非線形光学特性

1999 - 2001 Theoretical Studies on reactions in biological molecules

1997 - 1998 有機強磁性高分子設計のための電子状態重合法の開発

1996 - 1997 A Study on the Reaction Mechanism of Through Bond Electron Transfer in Proteins by the Elongation Method

1995 - 1997 Development of Elongation Program for the Theoretical Control of Polymerization Reaction-Catalytic Reaction-Crystal Growth

1996 - 1996 ランダム高分子の機能・物性予測のための電子状態重合法の開発

1992 - 1994 A study on the electronic structure of aperiodic polymers by theoretical polymerization method

1991 - 1993 Programming for the prediction of physico-chemical properties of polymer

1990 - 1990 周期性及び非周期性高分子におけるエキシトン状態の量子化学的研究

1989 - 1989 Through Space/Bond相互作用解析による機能性高分子のメカニズム解析

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Papers (178)：

Makoto Higashino, Daiki Aso, Yosei Yamashita, Yuuichi Orimoto, Yuriko Aoki. Effects of fluid flow on the rate limiting for CO2 capture by an AEEA containing membrane. Journal of Environmental Chemical Engineering. 2023. 11. 5
Denis Mashkovtsev, Yuuichi Orimoto, Yuriko Aoki. Fast and Accurate Calculation of the UV-Vis Spectrum with the Modified Local Excitation Approximation. Journal of Chemical Theory and Computation. 2023. 19. 16. 5548-5562
Makoto Higashino, Daiki Aso, Yuuichi Orimoto, Yuriko Aoki. Multiscale investigation for CO2 capture using membrane with AEEA: Significance of fluid flow and AEEA content to CO2 permeance. International Journal of Heat and Mass Transfer. 2023. 201. 123564-123564
Yuuichi Orimoto, Keisuke Hisama, Yuriko Aoki. Local electronic structure analysis by ab initio elongation method: A benchmark using DNA block polymers. Journal of Chemical Physics. 2022. 156. 20
Daiki Aso, Yuuichi Orimoto, Makoto Higashino, Ikuo Taniguchi, Yuriko Aoki. Why does 2-(2-aminoethylamino)ethanol have superior CO2 separation performance to monoethanolamine? A computational study. Physical Chemistry Chemical Physics. 2022. 24. 23. 14172-14176

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