Kyushu University Academic Staff Educational and Research Activities Database
List of Presentations
Yuriko Aoki Last modified date:2017.11.15

Professor / Solid Surface Science / Department of Advanced Materials Science and Engineering / Faculty of Engineering Sciences


Presentations
1. Y. Orimoto, and Y. Aoki, Computational design of DNAs: property control via elongation method, 第44回国際核酸化学シンポジウム , 2017.11.15.
2. H. Teramae, and Y. Aoki, An Attempt at Ab Initio Crystal Orbital Calculation of Electronic Structure of B-type model-DNA, International Conference of Computational Methods in Sciences and Engineering, 2016.04.22.
3. Y. Aoki, Efficient quantum chemical method for functional material design, The 10th International Conference on Computational Physics (ICCP10), 2017.01.17, [URL].
4. Y. Aoki, and Y. Orimoto, An efficient NLO functional optimization by elongation method for nanotubes and DNA, Stereodynamics 2016, 2016.11.09, [URL].
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8. Y. Aoki, and Y. Orimoto, Linear-scaling elongation method for efficient search of the best functional polymers-applications to DNA, Current Trends in Theoretical Chemistry VII, 2016.09.07, [URL].
9. Y. Aoki, Linear Scaling Method for Large Systems and its Applications to Nano-Bio Systems, The 6th JCS International Symposium on Theoretical Chemistry (JCS-2015), 2015.10.13, [URL].
10. Y. Orimoto, and Y. Aoki, Computational functional design of artificial DNAs: application of elongation method and
through-space/bond interaction analysis, 第42回国際核酸化学シンポジウム, 2015.09.23, [URL].
11. W. Mizukami, K. Matsubara, and Y. Aoki, Analysis and modeling of molecular interactions in halogen-bonded cocrystal, 51st Symposium on Theoretical Chemistry(STC2015), 2015.09.22, [URL].
12. Y. Orimoto, and Y. Aoki, 機能性人工核酸の理論的分子設計~導電性・強磁性・非線形光学特性~, 第9回分子科学討論会, 2015.09.19, [URL].
13. K. Kato, Y. Orimoto, and Y. Aoki, 光電変換ワイヤの効率的理論設計法と応⽤, 第9回分子科学討論会, 2015.09.19, [URL].
14. Y. Aoki, K. Liu, W. Mizukami, and Y. Orimoto, ⼤規模原⼦分⼦系に向けた効率的Elongation法の展開と応⽤, 第9回分子科学討論会, 2015.09.17, [URL].
15. K. Matsubara, W. Mizukami, and Y. Aoki, 相互作⽤解析によるハロゲン結合をベースとした共結晶⽣成過程の理解, 第9回分子科学討論会, 2015.09.17, [URL].
16. X. Zhu, and Y. Aoki, 開殻⾼分⼦安定スピン状態予測のための⾮結合性最⼩Mixing(NB-MM)MO-ELG法, 第9回分子科学討論会, 2015.09.16, [URL].
17. L. Jin, and Y. Aoki, Interaction of OH- with Xylan and Its Hydrated Complexes: Structures and Molecular Dynamics Study Using Elongation Method, 2015 International Symposium for Advanced Materials Research (ISAMR 2015), 2015.08.19, [URL].
18. Y. Orimoto, and Y. Aoki, Highly efficient electronic structure calculations of biomaterials for their functional design, 2015 International Symposium for Advanced Materials Research (ISAMR 2015), 2015.08.19, [URL].
19. Y. Aoki, Theoretical design for NLO polymers, 2015 International Symposium for Advanced Materials Research (ISAMR 2015), 2015.08.19, [URL].
20. Y. Aoki, An efficient quantum chemical approach for material design, 2015 International Symposium for Advanced Materials Research (ISAMR 2015), 2015.08.19, [URL].
21. Y. Aoki, Elongation Method for Functional Design of Nano-Bio Systems, The 15th International Congress of Quantum Chemistry (ICQC), 2015.06.12, [URL].
22. Y. Aoki, Efficient NLO Calculations by Elongation Method, The 15th International Congress of Quantum Chemistry (ICQC) Satellite Meeting, 2015.06.02, [URL].
23. 青木 百合子, Elongation Method for Efficient Quantum Chemical Calculations of Large Systems towards Material Design, The First Joint Symposium of Kyushu University and Yonsei University on Materials Science and Chemical Engineering(SKY-1), 2015.02.06.
24. Y. Furutani, and Y. Aoki, A Quantum Chemical Study on Cathode Active Materials of Organic Radical-Molecules in Secondary Battery, 16th Cross Straits Symposium on Energy, Environmental Science and Technology (CSS-EEST 16), 2014.11.14.
25. Y. Aoki, Recent development of highly accurate linear scaling elongation method and its applications to large systems, 2014 International Workshop on Frontiers of Theoretical and Computational Physics and Chemistry (WFTCPC 2014), 2014.08.22.
26. Y. Orimoto, K. Liu, and Y. Aoki, Functional design of natural and artificial nucleic acids via ab initio order-N elongation method: computational approaches, The 40th International Symposium on Nudeic Acids Chemistry, 2013.11.13.
27. Y. Orimoto, K. Liu, and Y. Aoki, Highly effcient O(N) calculations of natural and artificial DNAs by elongation method, 第7回分子科学討論会, 2013.09.27.
28. R. Tsutsui, K. Liu, Y. Orimoto, H. Honda, and Y. Aoki, Functional properties and electronic states of metal included BN/C heteronanotubes by Elongation method, 第7回分子科学討論会, 2013.09.26.
29. K. Liu, Y. Orimoto, and Y. Aoki, Highly efficient analyses of I-M-I transition in quasi-1D metal complexes by elongation method, 第7回分子科学討論会, 2013.09.26.
30. X. Zhu, K. Liu, Y. Orimoto, and Y. Aoki, Development of open-shell elongation method and its application to ferromagnetic material design, 第7回分子科学討論会, 2013.09.26.
31. L. Jiang, Y. Orimoto, and Y. Aoki, Through-space/bond interaction analysis on NLO properties enhancement of molecular switches, 第7回分子科学討論会, 2013.09.26.
32. Y. Aoki, K. Liu, P. Xie, and Y. Orimoto, An efficient searching of optimized geometries for proteins and DNA by ELG-OPT method, 第7回分子科学討論会, 2013.09.26.
33. P. Kuźniarowicz, Y. Aoki, A. Stachowicz, and J. Korchowiec, Intermediate field for the elongation method, Current Trends in Theoretical Chemistry VI, 2013.09.05.
34. Y. Aoki, Elongation method for efficient and accurate calculations of large systems and applications to DNA, proteins, and nanotubes towards material design, Current Trends in Theoretical Chemistry VI, 2013.09.05.
35. Y. Orimoto, P. Xie, K. Liu, and Y. Aoki, Highly efficient quantum chemistry calculations of DNA for designing biomaterials, 14th Cross Straits Symposium on Energy and Environmental Science and Technology (CSS-EEST 14), 2013.02.19.
36. L. Jiang, Y. Orimoto, and Y. Aoki, Insights into substituents and solvent effects on SN2 reaction by through space/bond interaction analysis, 14th Cross Straits Symposium on Energy and Environmental Science and Technology (CSS-EEST 14), 2013.02.19.
37. Y. Furutani, Y. Orimoto, and Y. Aoki, A quantum chemical study on cathode active materials of organc radical-molecules in secondary battery, 14th Cross Straits Symposium on Energy and Environmental Science and Technology (CSS-EEST 14), 2013.02.18.
38. R. Tsutsui, K. Liu, Y. Orimoto, and Y. Aoki, Functional properties of BN nanotubes by highly efficient Geometry optimization method, 14th Cross Straits Symposium on Energy and Environmental Science and Technology (CSS-EEST 14), 2013.02.18.
39. P. Xie, Y. Orimoto, K. Liu, Y. Yan, F. L. Gu, and Y. Aoki, Elongation dynamics and local transition state search on reaction site, 第6回分子科学討論会, 2012.09.21.
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