[contents]

• Introduction in Loop, and Google Scholar
• source codes
• Oral Presentations
  
• Books
  

 
Papers

[2020]

• Arnab Majumdar(University of Saskatchewan), Min Wu(University of Saskatchewan, Zhejiang University of Technology), Yuanming Pan(University of Saskatchewan), Toshiaki Iitaka(RIKEN) and John S. Tse( University of Saskatchewan), "Structural dynamics of basaltic melt at mantle conditions with implications for magma oceans and superplumes", nature communications, vol.11, Article number:4815 (2020).
  (doi:10.1038/s41467-020-18660-w)
• Nguyen Hung Son(Hanoi University of Science and Technology), Nguyen Hoang Anh(Hanoi University of Science and Technology),Pham Huu Kien(Duy Tan University), Toshiaki Iitaka(RIKEN) and Nguyen Van Hong(Hanoi University of Science and Technology), "Topology of SiOx-units and glassy network of magnesium silicate glass under densification: correlation between radial distribution function and bond angle distribution", IOP SCIENCE, vol 28, Number 6(2020).
  (doi:10.1088/1361-651X/ab9bb4)
• Ying Sun(Jilin University), Yifan Tian(Jilin University),Bowen Jiang(Jilin University),Xue Li(Jilin University), Hefei Li(Jilin University), Toshiaki Iitaka(RIKEN),Xin Zhong(Center for High Pressure Science and Technology Advanced Research) and Yu Xie(Jilin University), "Computational discovery of a dynamically stable cubic SH3-like high-temperature superconductor at 100 GPa via CH4 intercalation", Physical Review B, 101, 174102(2020).
  (doi:10.1103/PhysRevB.101.174102)

[2019]

• Hiroshi Fukui(University of Hyogo), Le The Anh(RIKEN), Masahiro Wada(University of Hyogo), Nozomu Hiraoka(National Synchrotron Radiation Research Center), Toshiaki Iitaka(RIKEN), Naohisa Hirao(Japan Synchrotron Radiation Research Institute), Yuichi Akahama(University of Hyogo), and Tetsuo Irifune(Ehime University), "Electronic structure of dense solid oxygen from insulator to metal investigated with X-ray Raman scattering", National Academy of Sciences, 31597738(2019).
  (doi:10.1073/pnas.1905771116)PDF is here.
• Zhi Li(Nanjing University of Science and Technology),Toshiaki Iitaka(RIKEN), Haibo Zeng(Nanjing University of Science and Technology), and Haibin Su( The Hong Kong University of Science and Technology),"Optical response of the chiral topological semimetal RhSi",Phys. Rev. B 100, 155201(2019).
  (doi:10.1103/PhysRevB.100.155201)
• Nguyen Van Hong(Hanoi University), Nguyen Thi ThanhHa(Hanoi University), Pham Khac Hung(Hanoi University),Toshiaki Iitaka(RIKEN),"Pressure-induced structural change of CaO-Al2O3-SiO2 melt: Insight from molecular dynamics simulation",Materials Chemistry and Physics,vol 236, Article number: 121839(2019).
  (doi:10.1016/j.matchemphys.2019.121839)(doi:https://authors.elsevier.com/c/1ZQ7Zvn2LrRzy)
• Le The Anh(RIKEN, Vietnam Academy of Science and Technology), Masahiro Wada(University of Hyogo), Hiroshi Fukui(University of Hyogo), Tsutomu Kawatsu(RIKEN) and Toshiaki Iitaka(RIKEN),"First-principles calculations of the epsilon phase of solid oxygen",Scientific Reports,vol 9, Article number: 8731 (2019).
  (doi:10.1038/s41598-019-45314-9)
• P K Hung, N V Hong, G T T Trang and Toshiaki Iitaka,"Topological analysis on structure and dynamics of SiO2 liquid with the help of Si-particle and O-particle statistics", Materials Research Express, Volume 6, Number 8 (2019)
  ( doi: 10.1088/2053-1591/ab1c73)
• Zhi Li, Abudukadi Tudi, Peng Ren, Yun Yang, Toshiaki Iitaka, Takami Tohyama, Zhihua Yang, Shilie Pan, and Haibin Su "NaPN2: Deep-ultraviolet nonlinear optical material with unprecedented strong second-harmonic generation coefficient", PHYSICAL REVIEW MATERIALS, Volume 3, 025201 (2019)
  ( doi: 10.1103/PhysRevMaterials.3.025201)
• Shu-Yu Ning, Toshiaki Iitaka, Dan-dan Xu, Zhi Li, Yan Wang, Xin-Yu Yang, and Jiu-Xing Zhang "Preparation and Properties of High-Quality CexLayPryNd0.05Gd0.05B6 Single Crystal by Optical Float-Zone Technique", PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, Volume 216, 1800706 (2019)
  ( doi: 10.1002/pssa.201800706)

[2018]

• Shu-Yu Ning, Toshiaki Iitaka, Xin-Yu Yang, Yan Wang, Jing-Jing Zhao, Zhi Li, and Jiu-Xing Zhang "Enhanced thermionic emission performance of LaB6 by Ce doping", JOURNAL OF ALLOYS AND COMPOUNDS, Volume 760, p. 1-5 (2018)
  ( doi: 10.1016/j.jallcom.2018.05.154)
• Dan Xu, Bingtan Li, Toshiaki Iitaka, Qiliang Cui, Hongbo Wang, and Hui Wang "Exotic high-pressure behavior of double nitride CuPN2", COMPUTATIONAL MATERIALS SCIENCE, Volume 152, p. 217-222 (2018)
  ( doi: 10.1016/j.commatsci.2018.05.048)
• Mai Thi Lan, Toshiaki Iitaka, and Nguyen Van Hong "Simulation of structural characteristics of Mullite melt at high pressure", INTERNATIONAL JOURNAL OF MODERN PHYSICS B, Volume 32, 1850271 (2018)
  ( doi: 10.1142/S0217979218502715)
• XiangPo Du, Ziwei Wang, Hongbo Wang, Toshiaki Iitaka, Yuanming Pan, Hui Wang, and John S. Tse "Structures and Stability of Iron Halides at the Earth's Mantle and Core Pressures: Implications for the Missing Halogen Paradox", ACS EARTH AND SPACE CHEMISTRY, Volume 2, p. 711-719 (2018)
  ( doi: 10.1021/acsearthspacechem.8b00034)
• John S. Tse, Niall J. English, Ketao Yin, and Toshiaki Iitaka "Thermal Conductivity of Solids from First-Principles Molecular Dynamics Calculations", JOURNAL OF PHYSICAL CHEMISTRY C, Volume 122, p. 10682-10690 (2018)
  ( doi: 10.1021/acs.jpcc.8b00880)
• P.K. Hung, L.T. Vinh, Nguyen Van Hong, N.T. ThuHa, and Toshiaki Iitaka "Two-domain structure and dynamics heterogeneity in a liquid SiO2", PHYSICAL REVIEW B, Volume 97, 085201 (2018)
  ( doi: 10.1103/PhysRevB.97.085201)
• Zhi Li, Ya-Qin Jin, Takami Tohyama, Toshiaki Iitaka, Jiu-Xing Zhang, and HaiBin Su "Second harmonic generation in the Weyl semimetal TaAs from a quantum kinetic equation", JOURNAL OF NON-CRYSTALLINE SOLIDS, Volume 484, p.124-131 (2018)
  ( doi: 10.1016/j.jnoncrysol.2018.01.023)

[2017]

• Zhi Li, Dan-Dan Xu, Shu-Yu Ning, Haibin Su, Toshiaki Iitaka, Takami Tohyama, and Jiu-Xing Zhang "Predicted Weyl fermions in magnetic GdBi and GdSb", INTERNATIONAL JOURNAL OF MODERN PHYSICS B, Volume 31, 1750217 (2017)
  ( doi: 10.1142/S0217979217502174)
• Zhi Li, Qiong Liu, Ying Wang, Toshiaki Iitaka, Haibin Su, Takami Tohyama, Zhihua Yang, and Shilie Pan "Second-harmonic generation in noncentrosymmetric phosphates", PHYSICAL REVIEW B, Volume 96, 035205 (2017)
  ( doi: 10.1103/PhysRevB.96.035205)
• Mai Thi Lan, Tran Thuy Duong, Toshiaki Iitaka, and Nguyen Van Hong "Computer simulation of CaSiO3 glass under compression: correlation between Si-Si pair radial distribution function and intermediate range order structure", MATERIALS RESEARCH EXPRESS, Volume 4, 065201 (2017)
  ( doi: 10.1088/2053-1591/aa70d1)
• Tran Thuy Duong, Toshiaki Iitaka, Pham Khac Hung, and Nguyen Van Hong "The first peak splitting of the Ge-Ge pair RDF in the correlation to network structure of GeO2 under compression", JOURNAL OF NON-CRYSTALLINE SOLIDS, Volume 459, p.103-110 (2017)
  ( doi: 10.1016/j.jnoncrysol.2017.01.003)
• Zhi Li, Shu-Yu Ning, HaiBin Su, Toshiaki Iitaka, XinYu Yang, Jiu-Xing Zhang, and Takami Tohyama "Band topologies of heaxaborides CaB6 and EuB6", SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, Volume 60, 017221 (2017)
  ( doi: 10.1007/s11433-016-0382-3)

[2016]

• Feng Xiaolei, Zhang Jurong, Liu Hanyu, Toshiaki Iitaka, Yin Ketao, Wang Hui "High pressure polyhydrides of molybdenum: A first-principles study", Solid State Communications, Volume 239, p. 14-19. (2016).
  ( doi:10.1016/j.ssc.2016.03.025)
• Zhi Li, Qiong Liu, Shujuan Han, Toshiaki Iitaka, Haibin Su, Takami Tohyama, Huaidong Jiang, Yongjun Dong, Bin Yang, Fangfang Zhang, Zhihua Yang, and Shilie Pan "Nonlinear electronic polarization and optical response in borophosphate BPO4", Phys. Rev. B 93, 245125 (2016).
  ( doi:10.1103/PhysRevB.93.245125)
• Luyen Thi San, Nguyen Van Hong, Toshiaki Iitaka, Pham Khac Hung "Structural organization, micro-phase separation and polyamorphism of liquid MgSiO3under compression", THE EUROPIAN PHYSICAL JOURNAL B Article:73 (2016)(pdf) .
  ( doi:10.1140/epjb/e2016-60740-4)
• Toshiaki Iitaka, "Superconducting ‘hydrogen’ at diamond tips", iTHES Newsletter vol.121 (2016). (pdf)
  ダイアモンド先端に挟まれた水素系超伝導(pdf)

[2015]

• Yanchao Wang, Hui Wang, John S. Tse, Toshiaki Iitaka and Yanming Ma, "Structural morphologies of high-pressure polymorphs of strontium hydrides" Phys. Chem. Chem. Phys. 17, 19379 (2015). (doi:10.1039/C5CP01510C)
• Zhi Li, Jinwoong Kim, Nicholas Kioussis, Shu-Yu Ning, Haibin Su, Toshiaki Iitaka, Takami Tohyama, Xinyu Yang, Jiu-Xing Zhang, "GdN thin film: Chern insulating state on square lattice", Phys. Rev. B92, 201303 (2015). ( doi:10.1103/PhysRevB.92.201303)
• Toshiaki Iitaka, "Water molecule survives in highest pressure ice?", iTHES Newsletter vol. 94 .
• Wenwen Cui, Jingming Shi, Hanyu Liu, Yansun Yao, Hui Wang, Toshiaki Iitaka and Yanming Ma, "Hydrogen segregation and its roles in structural stability and metallization: silane under pressure", Scientific Reports 5, 13039 (2015). ( doi:10.1038/srep13039) (metrics)
• Toshiaki Iitaka, Hiroshi Fukui, Zhi Li, Nozomu Hiraoka, and Tetsuo Irifune, "Pressure-induced dissociation of water molecules in ice VII", Scientific Reports 5, 12551 (2015). ( doi:10.1038/srep12551) (metrics)
  related paper: Fukui et al., Scientific Reports 6, 26641 (2016). ( doi:10.1038/srep26641)
• T. Hattori, A. Sano-Furukawa, H. Arima, K. Komatsu, A. Yamada, Y. Inamura, T. Nakatani, Y. Seto, T. Nagai, W. Utsumi, T. Iitaka, H. Kagi, Y. Katayama, T. Inoue, T. Otomo, K. Suzuya, T. Kamiyama, M. Arai, T. Yagi, "Design and performance of high-pressure PLANET beamline at pulsed neutron source at J-PARC", Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 780, 55-67 (2015). ( doi:10.1016/j.nima.2015.01.059)
• Jing-Jing Wang, Andreas Hermann, Xiao-Yu Kuang, Yuan-Yuan Jin, Cheng Lu, Chuan-Zhao Zhang, Meng Ju, Meng-Ting Si and Toshiaki Iitaka, "Exploration of stable stoichiometries, physical properties and hardness in the Rh-Si system: a first-principles study", RSC ADVANCES 5, 53497-53503 (2015). ( doi:10.1039/c5ra08476h)
• Kenta Hongo, Mark A. Watson, Toshiaki Iitaka, Alan Aspuru-Guzik, and Ryo Maezono, "Diffusion Monte Carlo Study of Para-Diiodobenzene Polymorphism Revisited", J. Chem. Theory Comput., 11 (3), 907-917 (2015). (doi: 10.1021/ct500401p)
• Ziwei Wang,   Hui Wang,   John S Tse,   Toshiaki Iitaka and   Yanming Ma , "Stabilization of H3+ in the high pressure crystalline structure of HnCl (n = 2-7) ",Chem. Sci. 6, 522-526 (2015). (doi: 10.1039/C4SC02802C)

[2014]

• Toshiaki Iitaka, A critical point of ice VII, Special Issue of The Review of High Pressure Science and Technology 24, 42 (2014). (journal)
• Taku Okada, Toshiaki Iitaka, Takehiko Yagi, Katsutoshi Aoki, "Electrical conductivity of ice VII", Sci. Rep. 4, 5778 (2014). (journal)(metrics) (pubmed) (movie)
  related paper: Fukui et al., Scientific Reports 6, 26641 (2016). ( doi:10.1038/srep26641)
• Ziwei Wang, Yansun Yao, Li Zhu, Hanyu Liu, Toshiaki Iitaka, Hui Wang and Yanming Ma, "Metallization and superconductivity of BeH2 under high pressure", J. Chem. Phys. 140, 124707 (2014). (journal)

[2013]

• Toshiaki Iitaka, "Is the ice inside the planet salty?", Ensemble, 15(3),168-171 (2013). (journal)
*飯高敏晃、「氷天体深部の氷はしょっぱいか」、アンサンブル(ISSN1884-6750)、15(3),168-171 (2013). (journal)

• Toshiaki Iitaka and Simon van Gorp, "How to synthesize antihydrogen with GPU ",  Riken Symposium, 27th June, 2013. (website)
• Toshiaki Iitaka, "Simulating proton dynamics in high pressure ices", The Review of High Pressure Science and Technology, 23 (2), 124-132 (2013). (journal)
  *飯高敏晃、「氷高圧相におけるプロトンダイナミクス・シミュレーション」,高圧力の科学と技術(ISSN: 1348-1940), 23 (2), 124-132 (2013). (journal)
  
• Toshiaki Iitaka, "Proton dynamics in high pressure ices", Low Temperature Science, 71, 121-124 (2013) [in Japanese]. (journal)
  *飯高敏晃、「氷高圧相におけるプロトンダイナミクス」, 低温科学(ISSN1880-7593), 71, 121-124 (2013). (journal)

[2012]

• Manabu Machida, Toshiaki Iitaka, Seiji Miyashita, "The ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale molecular magnet V15", Phys. Rev. B 86, 224412 (2012).  (journal, preprint)
  
• Zhi Li, Toshiaki Iitaka, and Takami Tohyama, "Pressure-induced ferromagnetism in cubic perovskite SrFeO3 and BaFeO3", Phys. Rev. B 86, 094422 (2012) . (journal, preprint)
• Jingyun Zhang, Jer-Lai Kuo, Toshiaki Iitaka, "First principles molecular dynamics study of filled ice hydrogen hydrate", J. Chem. Phys. 137, 084505 (2012). (journal, pdf, preprint)
  
• Zhi Li, Robert Laskowski, Toshiaki Iitaka, Takami Tohyama, "First-principles calculation of helical spin order in iron perovskite SrFeO3 and BaFeO3", Phys. Rev. B 85, 134419 (2012). (journal, preprint).
• Hui Wang , John S Tse , Kaori Tanaka , Toshiaki Iitaka , Yanming Ma, "Superconductive "sodalite"-like clathrate calcium hydride at high pressures", Proceedings of the National Academy of Sciences (PNAS) 109, 6463-6466 (2012). (journal, preprint)

[2011]

• Z.Li, J.S.Tse, S.You, C.Q.Jin, T.Iitaka, Electronic and magnetic structure of the high pressure phase of Li2CuO2, International Journal of Modern Physics B 25, 3409-3414 (2011). (journal)
  
• Hidekazu Tomono, Masaru Aoki, Toshiaki Iitaka and Kazuo Tsumuraya, Implementation of GPU-FFT into Planewave Based First Principles Calculation Method, Journal of Computational Science and Technology, 5 (3), 89-105 (2011). (journal)
  
• J.Yang, J.S. Tse, T.Iitaka, First-principles study of liquid gallium at ambient and high pressure, J. Chem. Phys. 135, 044507 (2011). (journal) (Melting Gallium Spoon!)
• S. Van Gorp, M. Beck, M. Breitenfeldt, V. De Leebeeck, P. Friedag, A. Herlert, T. Iitaka, J. Mader, V. Kozlov, S. Roccia, G. Soti, M. Tandecki, E. Traykov, F. Wauters, Ch. Weinheimer, D. Zákoucký, N. Severijns, "Simbuca, using a graphics card to simulate Coulomb interactions in a penning trap ",  Nucl. Instr. and Meth. A 638, 192-200 (2011). (journal)  (gpgpu)
  

[2010]

• Wai-Leung Yim, John S. Tse, and Toshiaki Iitaka, "Pressure-Induced Intermolecular Interactions in Crystalline Silane-Hydrogen", Phys. Rev. Lett. 105, 215501 (2010).(journal) (Riken Research) (Riken Singapore)
  
• Guoying Gao,　Artem R. Oganov, Yanming Ma, Hui Wang, Peifang Li, Yinwei Li, Toshiaki Iitaka, and Guangtian Zou, “Dissociation of methane under high pressure”, J. Chem. Phys. 133, 144508 (2010). (journal)
• Meiguang Zhang, Hui Wang, Hongbo Wang, Xinxin Zhang, Toshiaki Iitaka and Yanming Ma, “First-Principles Prediction on the High-Pressure Structures of Transition Metal Diborides (TMB2, TM = Sc, Ti, Y, Zr)”,  Inorg. Chem. 49, 6859 (2010). (journal)
• Toshiaki Iitaka,  "Stability of ferroelectric ice", (arXiv:1007.1792). (IceXI) (neutron) (PCI)
• Kenta Hongo, Mark A. Watson, Roel S. Sanchez-Carrera,  Toshiaki Iitaka, and Alan Aspuru-Guzik, "Failure of Conventional Density Functionals for the Prediction of Molecular Crystal Polymorphism: A Quantum Monte Carlo Study", J. Phys. Chem. Lett. 1, 1789–1794 (2010). (journal) (HaRiken09).
• Guoying Gao, Artem R. Oganov, Peifang Li, Zhenwei Li, Hui Wang, Tian Cui, Yanming Ma, Aitor Bergara, Andriy O. Lyakhov, Toshiaki Iitaka, and Guangtian Zou, "High-pressure crystal structures and superconductivity of Stannane (SnH4)", Proceedings of the National Academy of Sciences 107, 1317 (2010). (journal)
• Jianjun Yang, John S Tse and Toshiaki Iitaka, "First-principles studies of liquid lithium under pressure", J. Phys.: Condens. Matter 22, 095503 (2010). (journal)

• Toshiaki Iitaka, "GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers", J. Phys.: Conf. Ser. 215,012119 (2010). (arXiv:0910.4497) (journal) (references)
• Takeo Hoshi, Toshiaki Iitaka, Maria Fyta, "Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamond", J. Phys.: Conf. Ser. 215, 012118 (2010).(arXiv:0908.4469) (journal).
• M Aoki, H Tomono, T Iitaka and K Tsumuraya, "Acceleration of orbital-free first principles calculation with graphics processing unit GPU", J. Phys.: Conf. Ser. 215, 012120 (2010). (journal)
• H Tomono, M Aoki, T Iitaka and K Tsumuraya, "GPU based acceleration of first principles calculation ", J. Phys.: Conf. Ser. 215, 012121 (2010). (journal)

[2009]

• Y. Yao, J. S. Tse, J. Sun, D. D. Klug, R. Martoňák, and T. Iitaka, "Comment on “New Metallic Carbon Crystal”, Phys. Rev. Lett. 102, 229601 (2009). (journal).

[2008]

• Guoying Gao, Artem R. Oganov, Aitor Bergara, Miguel Martinez-Canales, Tian Cui, Toshiaki Iitaka, Yanming Ma, and Guangtian Zou, "Superconducting High Pressure Phase of Germane", Phys. Rev. Lett. 101, 107002 (2008) .(journal)
• Emiko Sugimura, Toshiaki Iitaka, Kei Hirose, Katsuyuki Kawamura, Nagayoshi Sata, and Yasuo Ohishi, "Compression of H2O ice to 126 GPa and implications for hydrogen bond symmetrization: Synchrotron x-ray diffraction measurements and density functional calculations", Phys. Rev. B 77, 214103 (2008)  (journal).
• Xin Chen, Yi Wang, Tian Cui, Yanming Ma, Guangtian Zou, and Toshiaki Iitaka, "HgTe: A potential thermoelectric material in the cinnabar phase", J. Chem. Phys. 128, 194713 (2008). (journal).

[2007]

•  John S. Tse, Roxana Flacau, Serge Desgreniers, Toshiaki Iitaka, and J. Z. Jiang, "Electron density topology of high-pressure Ba8Si46 from a combined Rietveld and maximum-entropy analysis",  Phys. Rev. B 76, 174109 (2007).(journal)(image)
• Jianjun Yang, John S. Tse, and Toshiaki Iitaka,  "First-principles investigation on the geometry and electronic structure of the three-dimensional cuboidal C60 polymer", J. Chem. Phys. 127, 134906 (2007). (journal)(Virtual Journal of Nanoscale Science & Technology)(RIKEN Highlight).
• Shintaro Nomura, and Toshiaki Iitaka, "Linear scaling calculation of a n-type GaAs quantum dot", Phys. Rev. E 76, 037701 (2007)  ( arXiv:0707.4521v1) (journal)(Virtual Journal of Nanoscale Science & Technology).
• Jianjun Yang, J.S. Tse, Y. Yao, and T. Iitaka, "Structural and Electronic Properties of Pristine and Ba-Doped Clathrate-Like Carbon Fullerenes", Angewandte Chemie International Edition 46, 6275 - 6277 (2007). (journal)(RIKEN Highlight).
• Tsuyoshi Hamada, Toshiaki Iitaka, "The Chamomile Scheme: An Optimized Algorithm for N-body simulations on Programmable Graphics Processing Units",(astro-ph/0703100)(citebase) (nvidia) (source codes)(license) (gpgpu).
• H. Shimizu, T. Iitaka, T. Fukushima, T. Kume, S. Sasaki, N. Sata, Y. Ohishi, H. Fukuoka, and S. Yamanaka, "Raman and XRD studies of Ba doped germanium clathrate Ba8Ge43 at high pressures", J. Appl. Phys. 101, 063549 (2007) (journal).
• T. Iitaka, Pressure-induced isostructural phase transition of metal-doped silicon clathrates,  Phys. Rev. B 75, 012106 (2007)  (cond-mat/0611299) (journal) (Virtual Journal of Nanoscale Science & Technology)
• K. Maruyama, T. Iitaka, F. Nori, Enhancement of entanglement transfer in a spin chain by phase shift control,  Phys. Rev. A 75, 012325 (2007).  (quant-ph/0610103) (journal) (Virtual Journal of Quantum Information).

[2006]

•  L. Yang, Y. M. Ma, T. Iitaka, J. S. Tse, K. Stahl, Y. Ohishi, Y. Wang, R. W. Zhang, J. F. Liu, H.-K. Mao, and J. Z. Jiang,  ”Pressure-induced phase transformations in the Ba8Si46 clathrate”, Phys. Rev. B 74, 245209 (2006). (journal)
• J.S. Tse, T. Iitaka, K. Parlinski, Vibrational properties and superconductivity in $Ba_{24}Si_{100}$, Europhys. Lett., 75 (1), pp. 153-159 (2006) . (journal)
• J.S. Tse,  D.D. Klug, T. Iitaka,   Dynamics of elemental lithium at megabar pressures, Phys. Rev. B 73, 212301 (2006). (journal)

[2005]

• T Iitaka, T Ebisuzaki, K Hirose and K Kawamura, Postperovskite phase transition of MgSiO3, J. Phys.: Conf. Ser. 29 58-60. (journal)
• J.S. Tse, T. Iitaka, T. Kume, H. Shimizu, K. Parlinski, H. Fukuoka, S. Yamanaka, The Electronic Structure and Vibrational Properties of Ba₈Si₄₆, Ba₈Ag_nSi_46-n and Ba₈Au_nSi_46-n,  Phys. Rev. B 72, 155441 (2005).  (journal).
• T. Iitaka, First principles molecular dynamics calculation for planetary and Earth sciences, in Proceedings of "International Workshop: Molecular Simulation Studies in Material and Biological Sciences" edited by Professor Kholmirzo Kholmurodov.
• T. Iitaka and T. Ebisuzaki, Chebyshev polynomial expansion method for nano-quantum systems, in Proceedings of "International Workshop: Molecular Simulation Studies in Material and Biological Sciences" edited by Professor Kholmirzo Kholmurodov.
• M. Machida, T. Iitaka and S. Miyashita, Temperature dependence of ESR intensity for the nanoscale molecular magnet V15, J. Phys. Soc. Jpn. Suppl. 74, 107-110 (2005). (preprint) (journal)

[2004]

• T. Iitaka, K. Hirose, K. Kawamura and M. Murakami, The elasticity of the MgSiO3 post-perovskite phase in the lowermost mantle, Nature 430, 442-445 (2004).  (free pdf) (journal) (summary in English) (summary in Japanese)
• T.Iitaka and T.Ebisuzaki, Random phase vector for calculating the trace of a large matrix,  Phys. Rev. E 69, 057701 (2004).  (preprint) (journal)

[2003]

• T. Iitaka and T. Ebisuzaki, Methane hydrate under high pressure,  Phys. Rev. B68, 172105 (2003).  (journal) (preprint)
• T. Iitaka, T. Ebisuzaki, Algorithm for linear response functions at finite temperatures, Application to ESR spectrum of s=1/2 antiferromagnet Cu benzoate. Phys. Rev. Lett. 90, 047203 (2003). (journal) (preprint)

[2002]

• T. Iitaka and T. Ebisuzaki, First-principles calculation of elastic properties of solid argon at high pressures. Phys. Rev. B65(1), 012103(2002). (journal) (preprint)
• 清水宏晏、飯高敏晃：　超高圧固体アルゴンの弾性定数とその第一原 理計算、日本物理学会誌第57巻第8号583(2002)。

[2001]

• F. Pichierri, T. Iitaka, T. Ebisuzaki, M. Kawai, D.M. Bird, First-principles pseudo-potential study of the Pd(110)-c(2x2)-ethylene adsorption system, J. Phys. Chem. B105(34), 8149-8154 (2001). (journal)

[2000]

• Iitaka, T; Ebisuzaki, T. 2000. Calculating feynman diagrams in time domain. PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT(138): 66-71.
• Iitaka, T; Ebisuzaki, T. 2000. Calculating response functions in time domain with nonorthonormal basis sets. PHYSICAL REVIEW E61 (4): R3314-R3317, Part A (journal) (preprint).
• T.Ebisuzaki and T.Iitaka (editor), Large-scale Calculation of Electronic States, RIKEN Review No.29 ( June, 2000 ) (journal).
•  

[1999]

• T. Iiitaka, Fast Algorithm for Quantum Physics, RIKEN Review No.19 ( October, 1998 ), pp.136-143. (journal)
• Tanaka, H; Ito, H; Iitaka, T; Ohstuki, Y. 1999. Focusing of tunneling electron in a magnetic field. SURFACE SCIENCE441 (2-3): 283-288. (journal) (preprint)
• Iitaka, T; Ebisuzaki, T. 1999. Efficient algorithm for calculating two-photon absorption spectra. PHYSICAL REVIEW E60 (2): R1178-R1180, Part A. (journal)
• Iitaka, T; Ebisuzaki, T. 1999. Non-degenerate two photon absorption spectra of Si nanocrystallites. MICROELECTRONIC ENGINEERING47 (1-4): 321-323.
• Nomura, S; Iitaka, T; Zhao, XW; Sugano, T; Aoyagi, Y. 1999. Quantum-size effect in model nanocrystalline/amorphous mixed-phase silicon structures. PHYSICAL REVIEW B59 (15): 10309-10314. (journal) (preprint)

[1998]

• Iitaka, T; Nomura, S; Hirayama, H; Zhao, XW; Aoyagi, Y; Sugano, T. 1998. Calculating the density of states and the linear response functions with time-dependent Schroedinger equations. MICROELECTRONIC ENGINEERING43-4: 459-470. (journal) (preprint)
• Nomura, S; Iitaka, T; Zhao, X; Sugano, T; Aoyagi, Y. 1998. Electronic structure of nanocrystalline amorphous silicon: a novel quantum size effect. MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY51 (1-3): 146-149. (journal) (preprint)

[1997]

• Iitaka, T. 1997. Correlation functions for a time-dependent calculation of linear-response functions. PHYSICAL REVIEW E56 (6): 7318-7319. (journal) (preprint)
• Iitaka, T; Bird, J; Stopa, M; Ishibashi, K; Aoyagi, Y; Sugano, T. 1997. Phase breaking in a quantum billiard. INTERNATIONAL JOURNAL OF BIFURCATION AND CHAOS7 (4): 937-943.
• S. Nomura, T. Iitaka,  XW. Zhao, T. Sugano, Y. Aoyagi,  Linear scaling calculation for optical-absorption spectra of large hydrogenated silicon nanocrystallites, Phys. Rev. B 56, R4348-R4350 (1997). (journal) (preprint)
• T. Iitaka, S. Nomura, H. Hirayama, XW. Zhao, Y. Aoyagi, T. Sugano,  Calculating the linear response functions of noninteracting electrons with a time-dependent Schrodinger equation, Phys. Rev. E 56, 1222-1229 (1997). (journal) (preprint)

[1996]

• T. Iitaka, Computing the real-time Green's Functions of large Hamiltonian matrices, High Performance Computing in RIKEN 1995 (ISSN-1342-3428), 241--247 (1996). (preprint)
• Mitsutake, A; Iitaka, T; Okamoto, Y. 1996. A method for calculating the eigenvalues of large Hermitian matrices by second-order recursion formulae. COMPUTER PHYSICS COMMUNICATIONS96 (2-3): 217-231. (journal) (preprint)

[1995]

• MARUYAMA, K; SAKAI, H; IITAKA, T. 1994. SIMULATION OF ELECTROMAGNETIC SHOWER FORMATION IN A GERMANIUM CRYSTAL. RADIATION EFFECTS AND DEFECTS IN SOLIDS130: 193-202.
• IITAKA, T; CARJAN, N; STROTTMAN, D. 1995. STABILITY OF THE SYMMETRICAL MULTISTEP METHODS FOR THE TIME-DEPENDENT SCHRODINGER-EQUATION. COMPUTER PHYSICS COMMUNICATIONS90 (2-3): 251-259. (journal) (preprint)
• IITAKA, T. 1995. COMPUTATIONAL QUANTUM DYNAMICS IN ATOMIC PHYSICS. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS96 (3-4): 663-667. (journal) (preprint)

[1994]

• IITAKA, T. 1994. SOLVING THE TIME-DEPENDENT SCHRODINGER-EQUATION NUMERICALLY. PHYSICAL REVIEW E49 (5): 4684-4690, Part B. (journal) (preprint)

[1993]

• KOYAMA, A; BENKA, O; ISHIKAWA, H; IITAKA, T; SASA, Y; UDA, M. 1993. INCIDENT ANGLE DEPENDENCE OF AL-LVV AUGER-ELECTRON SPECTRA INDUCED BY FAST AR-12+ ION IMPACT. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS75 (1-4): 86-88. (journal) (preprint)

[1992]

• OHTSUKI, YH; TOKIOKA, T; IITAKA, T; KITAGAWA, M. 1992. STOPPING POWER AT METAL-SURFACES. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS67 (1-4): 53-55. (journal) (preprint)
• ISHIKAWA, H; MISU, A; KOYAMA, A; IITAKA, T; UDA, M; OHTSUKI, Y. 1992. Z2-DEPENDENCE OF ENERGY-SPECTRA OF ELECTRONS EXCITED BY FAST HEAVY-IONS INCIDENT AT GRAZING ANGLE. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS67 (1-4): 160-163. (journal) (preprint)
• SAKAI, H; IITAKA, T; OHTSUKI, YH. 1992. COMPUTER-SIMULATION OF SKIPPING MOTION ON THE GRAPHITE (0001) SURFACE. PHYSICS LETTERS A161 (5): 467-469. (journal) (preprint)

[1991]

• IITAKA, T; OHTSUKI, YH; HIZAWA, K; KOYAMA, A; ISHIKAWA, H. 1991. CONVOY ELECTRONS EMITTED AT GLANCING ANGLE INCIDENCE OF MEV LIGHT-IONS. RADIATION EFFECTS AND DEFECTS IN SOLIDS117 (1-3): 127-130. (journal) (preprint)

[1990]

• KOYAMA, A; SASA, Y; ISHIKAWA, H; MISU, A; ISHII, K; IITAKA, T; OHTSUKI, YH; UDA, M. 1990. EXCITATION OF ELECTRONS FROM AN AL SURFACE BY GRAZING-ANGLE-INCIDENT FAST HEAVY-IONS. PHYSICAL REVIEW LETTERS65 (25): 3156-3159. (journal) (preprint)
• IITAKA, T; OHTSUKI, YH; KOYAMA, A; ISHIKAWA, H. 1990. ACCELERATION OF CONVOY ELECTRONS BY SURFACE IMAGE CHARGE. PHYSICAL REVIEW LETTERS65 (25): 3160-3161. (journal) (preprint)
• MIYAMOTO, T; IITAKA, T; OHTSUKI, YH. 1990. THE EFFECT OF SKIPPING MOTION ON THE ANGULAR-DISTRIBUTION. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS48 (1-4): 330-333. (journal) (preprint)
• IITAKA, T; OHTSUKI, YH. 1990. FORMATION OF POSITRONIUM AT METAL-SURFACES. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS48 (1-4): 375-377. (journal) (preprint)

[1989]

• IITAKA, T; OHTSUKI, YH. 1989. EXCITATION OF AN ATOM NEAR A SURFACE. SURFACE SCIENCE213 (1): 187-194. (journal) (preprint)
• IITAKA, T. 1989. INTERACTION OF FAST NEUTRAL ATOM AND SURFACE. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN58 (2): 445-450. (journal) (preprint)

[1988]

• KATO, M; IITAKA, T; OHTSUKI, YH. 1988. THE SKIPPING MOTION OF IONS AND THEIR ENERGY-LOSS SPECTRUM. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS33 (1-4): 432-434. (journal) (preprint)

 
Oral Presentation

• 20160920 2016 IUCr High-Pressure Workshop (Invited)
• 20160909 ポスト「京」萌芽的課題 「基礎科学の挑戦−複合・マルチスケール問題を通した極限の探求」 キックオフミーティング (Invited)
• 20160726 Goldschmidt2016 (Invited)
• 20160706 Earth-Life Science Institute (ELSI) Magma Oceanology Workshop (Invited)
• 20160626 Deep Carbon Observatory Symposium in Yokohama (Invited)

 
Books and Conferences


Theoretical Science Colloquium
theoretical scinces in RIKEN

Harvard-Riken Joint Symposium (HaRiken)

統 計物理学ハン・hブック-熱平衡から非平衡まで- (浅倉書店)

Molecular Simulation Studies in Material and Biological Sciences (MSSMBS-2010)

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Booklog

RIKEN Review  No.29  ( June, 2000 )  (DownLoad All-in-One PDF file) Large-scale Calculation of Electronic States Proceedings of RIKEN SYMPOSIUM

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