| 学術論文 |
| No. | 論文タイトル（題目） URL, 誌名(出版物名), 巻( 号), 開始ページ- 終了ページ, 出版年月（日）, DOI
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| 1 | Development of a Multitimescale Time-Resolved Electron Diffraction Setup: Photoinduced Dynamics of Oxygen Radicals on Graphene Oxide , The Journal of Physical Chemistry A, 126( 36), 6301- 6308, 2022年09月,
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| 2 | Ab Initio Molecular–Dynamics Study of Structural and Bonding Properties of Liquid Fe–Light–Element–O Systems Under High Pressure , Frontiers in Earth Science, 10, 873088-1- 873088-9, 2022年04月, https://doi.org/10.3389/feart.2022.873088 |
| 3 |
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| 4 |
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| 5 |
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| 6 | Dissociation mechanism from highly charged bromophenol: Ab initio molecular dynamics simulations , Zeitschrift fur Physikalische Chemie, 235, 169- 187, 2021年02月, https://doi.org/10.1515/zpch-2020-1634 |
| 7 |
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| 8 | 共有結合にとらわれた原子が液体中でどのように動くのか――共有結合性液体の高圧物性} , 日本物理学会誌, 74( 9), 621- 626, 2019年09月,
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| 9 | Selective Reduction Mechanism of Graphene Oxide Driven by the Photon Mode versus the Thermal Mode , ACS NANO, 13( 9), 10103- 10112, 2019年09月, 10.1021/acsnano.9b03060 |
| 10 | QXMD: An open-source program for nonadiabatic quantum molecular dynamics  , SoftwareX, 10, 100307- 100307-5, 2019年07月, 10.1016/j.softx.2019.100307 |
| 11 | Structural change in liquid sulphur from chain polymeric liquid to atomic simple liquid under high pressure , Journal of Physics: Condensed Matter, 31( 21), 215101- 215101-9, 2019年03月, 10.1088/1361-648x/ab0a35 |
| 12 | Femtosecond charge and molecular dynamics of I-containing organic molecules induced by intense X-ray free-electron laser pulses , Faraday Discussions, 194, 537- 562, 2016年10月, 10.1039/c6fd00085a |
| 13 | Ultrafast dynamics of a nucleobase analogue illuminated by a short intense x-ray free electron laser pulse , Physical Review X, 6, 021035- 021035-9, 2016年06月, 10.1103/PhysRevX.6.021035 |
| 14 | Dissociation dynamics of ethylene molecules on a Ni cluster using ab initio molecular dynamics simulations , Journal of Physics Condensed Matter, 28, 145001- 145001-11, 2016年03月, 10.1088/0953-8984/28/14/145001 |
| 15 | Crystalline anisotropy of shock-induced phenomena: Omni-directional multiscale shock technique , Applied Physics Letters, 108, 071901- 071901-5, 2016年02月, 10.1063/1.4942191 |
| 16 | Intermolecular correlations of racemic mixtures - Comparison between liquid S<inf>2</inf>Cl<inf>2</inf>and Se<inf>2</inf>Br<inf>2</inf> , Molecular Physics, 114, 297- 303, 2016年01月, 10.1080/00268976.2015.1100345 |
| 17 | Doping effect on photoabsorption and charge-separation dynamics in light-harvesting organic molecule , AIP Advances, 6, 015305- 015305-7, 2016年01月, 10.1063/1.4939848 |
| 18 | Structural changes of short- and intermediate-range order in liquid arsenic under pressure , Journal of the Physical Society of Japan, 84, 094602- 094602-6, 2015年09月, 10.7566/JPSJ.84.094602 |
| 19 | Charge and Nuclear Dynamics Induced by Deep Inner-Shell Multiphoton Ionization of CH<inf>3</inf>I Molecules by Intense X-ray Free-Electron Laser Pulses , Journal of Physical Chemistry Letters, 6, 2944- 2949, 2015年08月, 10.1021/acs.jpclett.5b01205 |
| 20 | Non-equilibrium dynamics in disordered materials: Ab initio molecular dynamics simulations , AIP Conference Proceedings, 1673, 020006- 020006, 2015年08月, 10.1063/1.4928260 |
| 21 | Structural properties of Fe<inf>2</inf>O<inf>3</inf>at high temperatures , Journal of the Physical Society of Japan, 83, 105002- 105002-2, 2014年10月, 10.7566/JPSJ.83.105002 |
| 22 | Rapid hydrogen production from water using aluminum nanoclusters: A quantum molecular dynamics simulation study , Solid State Ionics, 262, 908- 910, 2014年09月, 10.1016/j.ssi.2013.12.025 |
| 23 | Charge migration and molecular dissociation following multiphoton multiple ionization of iodine-substitute molecules by X-Ray free-electron laser pulses from SACLA , Optics InfoBase Conference Papers, , 09.Wed.D.5- 09.Wed.D.5, 2014年07月, |
| 24 | Ab initio molecular-dynamics study of dissociation mechanism of highly charged molecules , Journal of Physics: Conference Series, 510, 012039- 012039-8, 2014年05月, 10.1088/1742-6596/510/1/012039 |
| 25 | A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations , Journal of Chemical Physics, 140, 18A529- 18A529-14, 2014年05月, 10.1063/1.4869342 |
| 26 | Ab initio molecular-dynamics study of nonequilibrium phenomena in disordered materials , Models in Bioscience and Materials Research: Molecular Dynamics and Related Techniques, , 1- 12, 2013年12月, |
| 27 | Dynamic asymmetry of self-diffusion in liquid ZnCl<inf>2</inf>under pressure: An ab initio molecular-dynamics study , Journal of Chemical Physics, 138, 134504- 134504-7, 2013年04月, 10.1063/1.4798376 |
| 28 | Ab Initio molecular dynamics study of disordered materials , Molecular Dynamics of Nanobiostructures, , 115- 130, 2013年01月01日, |
| 29 | Large nonadiabatic quantum molecular dynamics simulations on parallel computers , Computer Physics Communications, 184, 1- 8, 2013年01月, 10.1016/j.cpc.2012.08.001 |
| 30 | Molecular-dynamics study of void-formation inside silicon wafers in stealth dicing , Journal of Physics: Conference Series, 402, 012044- 012044-9, 2012年12月, 10.1088/1742-6596/402/1/012044 |
| 31 | Enhanced charge transfer by phenyl groups at a rubrene/C<inf>60</inf>interface , Journal of Chemical Physics, 136, 184705- 184705-6, 2012年05月, 10.1063/1.4712616 |
| 32 | Molecular control of photoexcited charge transfer and recombination at a quaterthiophene/zinc oxide interface , Applied Physics Letters, 100, 203306- 203306-5, 2012年05月, 10.1063/1.4719206 |
| 33 | Ab initio molecular dynamics study of diffusion mechanism in liquid B<inf>2</inf>O<inf>3</inf>under pressure , Journal of Physics: Conference Series, 402, 012012- 012012-7, 2012年01月, 10.1088/1742-6596/402/1/012012 |
| 34 | Polymerization transition in liquid AsS under pressure: An ab initio molecular dynamics study , Physical Review B - Condensed Matter and Materials Physics, 84, 224202- 224202-7, 2011年12月, 10.1103/PhysRevB.84.224202 |
| 35 | Effects of solvation shells and cluster size on the reaction of aluminum clusters with water , AIP Advances, 1, 042149- 042149-13, 2011年12月, 10.1063/1.3664751 |
| 36 | Reaction of aluminum clusters with water , Journal of Chemical Physics, 134, 244702- 244702-8, 2011年06月, 10.1063/1.3602326 |
| 37 | Large-scale atomistic simulations of nanostructured materials based on divide-and-conquer density functional theory , European Physical Journal: Special Topics, 196, 53- 63, 2011年05月, 10.1140/epjst/e2011-01418-y |
| 38 | Ab initio molecular dynamics study of the metallization of liquid selenium under pressure , Physical Review B - Condensed Matter and Materials Physics, 83, 134206- 134206-7, 2011年04月, 10.1103/PhysRevB.83.134206 |
| 39 | Atomistic mechanisms of rapid energy transport in light-harvesting molecules , Applied Physics Letters, 98, 113302- 113302-3, 2011年03月, 10.1063/1.3565962 |
| 40 | Ab initio molecular-dynamics study of structural and electronic properties of liquid MgSiO<inf>3</inf>under pressure , EPJ Web of Conferences, 15, 02004- 02004-4, 2011年03月, 10.1051/epjconf/20111502004 |
| 41 | Atomic diffusion in covalent liquids under pressure from ab initio molecular dynamics , EPJ Web of Conferences, 15, 02003- 02003-4, 2011年01月, 10.1051/epjconf/20111502003 |
| 42 | Large-scale atomistic simulations of nanostructured materials based on divide-and-conquer density functional theory , EPJ Web of Conferences, 15, 03005- 03005-6, 2011年, 10.1051/epjconf/20111503005 |
| 43 | Molecular dynamics simulations of rapid hydrogen production from water using aluminum clusters as catalyzers , Physical Review Letters, 104, 126102- 126102-4, 2010年03月, 10.1103/PhysRevLett.104.126102 |
| 44 | Ab initio molecular-dynamics study of structural, bonding, and dynamic properties of liquid B2 O3 under pressure , Physical Review B - Condensed Matter and Materials Physics, 81, 014208- 014208-8, 2010年01月, 10.1103/PhysRevB.81.014208 |
| 45 | Anomalous pressure dependence of self-diffusion in liquid B2 O3: An ab initio molecular dynamics study , Physical Review B - Condensed Matter and Materials Physics, 80, 020202 (R)- 020202 (R)-4, 2009年08月, 10.1103/PhysRevB.80.020202 |
| 46 | Ab initio molecular-dynamics study of intermolecular correlations in liquid Se0:5Cl0:5 , Journal of the Physical Society of Japan, 78, 074601- 074601-6, 2009年07月, 10.1143/JPSJ.78.074601 |
| 47 | Mechanism of atomic diffusion in liquid B<inf>2</inf>O<inf>3</inf>: An ab initio molecular dynamics study , Physical Review B - Condensed Matter and Materials Physics, 78, 224206- 224206-6, 2008年12月, 10.1103/PhysRevB.78.224206 |
| 口頭発表 |
| No. | 講演・口頭発表タイトル, URL, 発表機関, 発表年月日, 誌名, 巻( 号), 開始ページ- 終了ページ, 出版年月（日）
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| 1 | Properties of liquid Fe mixtures under high-pressure conditions, , JpGu2021, 2021年06月, , , -- -, 2021年06月
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| 2 | Doping effects on photo absorption and excited charge dynamics of organic molecule, , Opto-X, 2019年12月02日, , , none- none,
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| 3 | Pressure-induced structural change of liquid sulfur from polymeric liquid to simple liquid, , The 17th International Conference on liquid amorphous metal (LAM17), 2019年08月29日, , , none- none,
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| 4 | Properties of liquid iron-light-element mixtures under high pressure ab initio molecular dynamics simulations., , Matter in Extreme Conditions: from MATerial science to Plasmas for Laboratory Astropohysics (MECMATPLA), 2019年03月17日, , , none- none,
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| 5 | 高圧下における液体鉄ニッケル合金の軽元素による輸送特性の変化, , 日本物理学会, 2018年03月23日, , , none- none,
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| 6 | 人工網膜分子（NK5962）のカウンターイオン置換：第一原理分子動力学シミュレーション, , 応用物理学会, 2018年03月19日, , , none- none,
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| 7 | Effects of light element impurities on transport properties of liquid FeNi alloy under high pressure, , Kumamoto University 5th International Symposium on Kumamoto SynchrotronRadiation (ISKSR5): Progress of Data Analysis, Data-Driven Science, and Theory for Science, 2017年11月01日, , , none- none,
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| 8 | Effects of light-element impurities on transport properties of liquid Fe-Ni alloy at Earth's core conditions, , JpGU-AGU, 2017年05月21日, , , none- none,
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| 9 | 超高圧下における液体鉄―ニッケル混合系の輸送特性, , 日本物理学会, 2017年03月18日, , , none- none,
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| 10 | 液体硫黄の圧力誘起構造変化の微視的機構, , 日本物理学会, 2016年09月14日, , , none- none,
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| 11 | 構造不規則系の原子ダイナミクス：第一原理分子動力学シミュレーション, , 日本セラミックス協会, 2016年09月, , , none- none,
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| 12 | Photoexcited Charge Dynamics in Light-Harvesting Organic Molecules, , The 20th International Annual Symposium on Computational Science and Engineering, 2016年07月, , , none- none,
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| 13 | Viscosity of Basaltic Melt under High Pressure ab initio Molecular Dynamics Simulations, , 日本地球惑星科学連合, 2016年05月23日, , , none- none,
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| 14 | 超高圧環境下における液体酸素の構造 第一原理分子動力学シミュレーション, , 日本高圧力学会, 2015年11月, , , none- none,
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| 15 | 液体Asの中距離構造と局所構造の圧力依存性, , 日本物理学会, 2015年09月, , , none- none,
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| 16 | Charge dynamics in Light-Harvesting Organic Supermolecule, , 2nd International Symposium on Computational Materials and Biological Science, 2015年08月, , , none- none,
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| 17 | 液体窒素の超高圧構造 第一原理分子動力学シミュレーション, , 日本物理学会, 2014年09月, , , none- none,
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| 18 | Electronic Tranport in Light-Harvesting Systems Ab initio Molecular-Dynamics simulations, , IUMRS-ICA, 2014年08月, , , none- none,
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| 19 | Ab initio molecular dynamics study of ultra-high pressure structure of liquid oxygen From GPa to TPa, , Kumamoto University, 2014年05月, , , none- none,
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