業績をさがす - researchmap

Assessment of the antifouling properties of polyzwitterions from free energy calculations by molecular dynamics simulations: Ryo Nagumo, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto

Industrial and Engineering Chemistry Research 51(11) 4458-4462 2012年3月21日

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Assessment of the Antifouling Properties of Polyzwitterions from Free Energy Calculations by Molecular Dynamics Simulations: Ryo Nagumo, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 51(11) 4458-4462 2012年3月

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Restoration of p53-DNA interaction loss upon R273H mutation by CP-31398: an ultra accelerated quantum chemical molecular dynamics approach: Shah Md Abdur Rauf, Kamlesh Kumar Sahu, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Akira Miyamoto

MEDICINAL CHEMISTRY RESEARCH 21(2) 239-244 2012年2月

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Restoration of p53–DNA interaction loss upon R273H mutation by CP-31398: an ultra accelerated quantum chemical molecular dynamics approach: Shah Md. Abdur Rauf, Kamlesh Kumar Sahu, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos Del Carpio, Akira Miyamoto

Medical Chemistry Research 21(2) 239-244 2012年2月

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A theoretical design of surface modiers for suppression of membrane fouling: Potential of poly(2-methoxyethylacrylate): Ryo Nagumo, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto

Journal of Chemical Engineering of Japan 45(8) 568-570 2012年

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Electronic and atomistic roles of cordierite substrate in sintering of washcoated catalysts for automotive exhaust gas emissions control: Multi-scale computational chemistry approach based on ultra-accelerated quantum chemical molecular dynamics method: Akira Miyamoto, Ryo Nagumo, Ai Suzuki, Ryuji Miura, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Sumio Kozawa, Athonu Chatterjee, Akira Okada

SAE Technical Papers 2012-01-1292 2012年

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A Theoretical Design of Surface Modifiers for Suppression of Membrane Fouling: Potential of Poly(2-methoxyethylacrylate): Ryo Nagumo, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN 45(8) 568-570 2012年

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Electronic and Atomistic Roles of Cordierite Substrate in Sintering of Washcoated Catalysts for Automotive Exhaust Gas Emissions Control: Multiscale Computational Chemistry Approach based on Ultra-Accelerated Quantum Chemical Molecular Dynamics Method ・・・: Akira Miyamoto, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Sumio Kozawa, Athonu Chatterjee, Akira Okada

SAE Technical Papers 2012-01-1292 2012年

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EV/HEV用電池と周辺機器・給電システムの最適化・高効率化技術: 株式会社情報機構 2011年

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EV/HEV用電池と周辺機器・給電システムの最適化・高効率化技術: 株式会社情報機構 2011年

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A Computational Chemistry Study on Friction of h-MoS2 Part II Friction Anisotropy: Tasuku Onodera, Yusuke Morita, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Fabrice Dassenoy, Clotilde Minfray, Lucile Joly-Pottuz, Momoji Kubo, Jean-Michel Martin, Akira Miyamoto

JOURNAL OF PHYSICAL CHEMISTRY B 114(48) 15832-15838 2010年12月

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Study of reduction processes over cerium oxide surfaces with atomic hydrogen using ultra accelerated quantum chemical molecular dynamics: Md. Khorshed Alam, Farouq Ahmed, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto

APPLIED SURFACE SCIENCE 257(5) 1383-1389 2010年12月

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A Computational Chemistry Study on Friction of h-MoS2 Part II Friction Anisotropy: Tasuku Onodera, Yusuke Morita, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Fabrice Dassenoy, Clotilde Minfray, Lucile Joly-Pottuz, Momoji Kubo, Jean-Michel Martin, Akira Miyamoto

JOURNAL OF PHYSICAL CHEMISTRY B 114(48) 15832-15838 2010年12月

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Study of reduction processes over cerium oxide surfaces with atomic hydrogen using ultra accelerated quantum chemical molecular dynamics: Md. Khorshed Alam, Farouq Ahmed, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto

APPLIED SURFACE SCIENCE 257(5) 1383-1389 2010年12月

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Adsorption and dissociation of molecular hydrogen on Pt/CeO2 catalyst in the hydrogen spillover process: A quantum chemical molecular dynamics study: Farouq Ahmed, Md. Khorshed Alam, Ryuji Muira, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto

APPLIED SURFACE SCIENCE 256(24) 7643-7652 2010年10月

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Adsorption and dissociation of molecular hydrogen on Pt/CeO2 catalyst in the hydrogen spillover process: A quantum chemical molecular dynamics study: Farouq Ahmed, Md. Khorshed Alam, Ryuji Muira, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto

APPLIED SURFACE SCIENCE 256(24) 7643-7652 2010年10月

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An Elucidation of the Interaction Between Pt Particles and CeO2 Surfaces Using Tight-Binding Quantum Chemistry Method: S. Jung, A. Suzuki, H. Tsuboi, N. Hatakeyama, A. Endou, H. Takaba, M. Kubo, A. Miyamoto

TOPICS IN CATALYSIS 53(7-10) 700-706 2010年6月

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An Elucidation of the Interaction Between Pt Particles and CeO2 Surfaces Using Tight-Binding Quantum Chemistry Method: S. Jung, A. Suzuki, H. Tsuboi, N. Hatakeyama, A. Endou, H. Takaba, M. Kubo, A. Miyamoto

TOPICS IN CATALYSIS 53(7-10) 700-706 2010年6月

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The effect of R249S carcinogenic and H168R-R249S suppressor mutations on p53-DNA interaction, a multi scale computational study: Shah Md. Abdur Rauf, Mohamed Ismael, Kamlesh Kumar Sahu, Ai Suzuki, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Akira Miyamoto

COMPUTERS IN BIOLOGY AND MEDICINE 40(5) 498-508 2010年5月

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The effect of R249S carcinogenic and H168R-R249S suppressor mutations on p53-DNA interaction, a multi scale computational study: Shah Md. Abdur Rauf, Mohamed Ismael, Kamlesh Kumar Sahu, Ai Suzuki, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Akira Miyamoto

COMPUTERS IN BIOLOGY AND MEDICINE 40(5) 498-508 2010年5月

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Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives: T. Onodera, R. Miura, A. Suzuki, H. Tsuboi, N. Hatakeyama, A. Endou, H. Takaba, M. Kubo, A. Miyamoto

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 18(3) 0304009 2010年4月

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Quantum chemistry and QSPR study on relationship between crystal structure and emission wavelength of Eu2+-doped phosphors: Hiroaki Onuma, Itaru Yamashita, Kazumi Serizawa, Hiroaki Tanno, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Hiroshi Kajiyama, Akira Miyamoto

JOURNAL OF THE SOCIETY FOR INFORMATION DISPLAY 18(4) 301-309 2010年4月

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Quantum Chemistry Study on Absorption Spectra, Electronic and Electrical Properties of Organic Dye on Anatase(001): Chen Lv, Kei Ogiya, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, Akira Miyamoto

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 10(4) 2434-2443 2010年4月

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Tribochemical Reaction Dynamics of Molybdenum Dithiocarbamate on Nascent Iron Surface: A Hybrid Quantum Chemical/Classical Molecular Dynamics Study: Tasuku Onodera, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, Akira Miyamoto

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 10(4) 2495-2502 2010年4月

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Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives: T. Onodera, R. Miura, A. Suzuki, H. Tsuboi, N. Hatakeyama, A. Endou, H. Takaba, M. Kubo, A. Miyamoto

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 18(3) 0304009 2010年4月

高羽洋充

Quantum chemistry and QSPR study on relationship between crystal structure and emission wavelength of Eu2+-doped phosphors: Hiroaki Onuma, Itaru Yamashita, Kazumi Serizawa, Hiroaki Tanno, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Hiroshi Kajiyama, Akira Miyamoto

JOURNAL OF THE SOCIETY FOR INFORMATION DISPLAY 18(4) 301-309 2010年4月

高羽洋充

Quantum Chemistry Study on Absorption Spectra, Electronic and Electrical Properties of Organic Dye on Anatase(001): Chen Lv, Kei Ogiya, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, Akira Miyamoto

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 10(4) 2434-2443 2010年4月

高羽洋充

Tribochemical Reaction Dynamics of Molybdenum Dithiocarbamate on Nascent Iron Surface: A Hybrid Quantum Chemical/Classical Molecular Dynamics Study: Tasuku Onodera, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, Akira Miyamoto

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 10(4) 2495-2502 2010年4月

高羽洋充

Host emission from BaMgAl10O17 and SrMgAl10O17 phosphor: Effects of temperature and defect level: Hiroaki Onuma, Hiroaki Tanno, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Ramesh Chandra Deka, Hiroshi Kajiyama, Tsutae Shinoda, Akira Miyamoto

JOURNAL OF THE SOCIETY FOR INFORMATION DISPLAY 18(3) 211-222 2010年3月

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Host emission from BaMgAl10O17 and SrMgAl10O17 phosphor: Effects of temperature and defect level: Hiroaki Onuma, Hiroaki Tanno, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Ramesh Chandra Deka, Hiroshi Kajiyama, Tsutae Shinoda, Akira Miyamoto

JOURNAL OF THE SOCIETY FOR INFORMATION DISPLAY 18(3) 211-222 2010年3月

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Applying ultra-accelerated quantum chemical molecular dynamics technique for the evaluation of ligand protein interactions: Kamlesh Kumar Sahu, Mohamed Ismael, Shah Md. Abdur Rauf, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Ramesh Chandra Deka, Carlos A. Del Carpio, Momoji Kubo, Akira Miyamoto

MEDICINAL CHEMISTRY RESEARCH 19(1) 1-10 2010年2月

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Applying ultra-accelerated quantum chemical molecular dynamics technique for the evaluation of ligand protein interactions: Kamlesh Kumar Sahu, Mohamed Ismael, Shah Md. Abdur Rauf, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Ramesh Chandra Deka, Carlos A. Del Carpio, Momoji Kubo, Akira Miyamoto

MEDICINAL CHEMISTRY RESEARCH 19(1) 1-10 2010年2月

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Modeling of Dye-Sensitized Solar Cells Based on TiO2 Electrode Structure Model: Mari Onodera, Kei Ogiya, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto

JAPANESE JOURNAL OF APPLIED PHYSICS 49(4) 04DP10 2010年

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A Theoretical Study on Initial Processes of Li-Ion Transport at the Electrolyte/Cathode Interface: A Quantum Chemical Molecular Dynamics Approach: Tomaru Ogawa, Masayuki Miyano, Yasuhiro Suzuki, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto

JAPANESE JOURNAL OF APPLIED PHYSICS 49(4) 04DP11 2010年

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