Taisuke Ozaki Associate Professor
Research Center for Simulation Science

Results 1-20 of about 49

• 1.　First-principles study of interface structure and energy of Fe/NbC，H. Sawada, S. Taniguchi, K. Kawakami, and T. Ozaki， Modelling Simul. Mater. Sci. Eng.，21，4，12pp，24 April 2013
• 2.　First-Principles Study of Multiterminal Quantum Interference Controlled Molecular Devices.，Y.Okuno, T.Ozaki，J. Phys. Chem. C, 2013, pp 100-109，117，1，10pp，2013/01
• 3.　Large-scale first-principles molecular dynamics for electrochemical systems with O(N) methods，T. Ohwaki, M. Otani, T. Ikeshoji, and T. Ozaki，J. Chem. Phys.，136，134101，2012
• 4.　Buckling-induced direct π-band gap opening in epitaxial silicene，R. Friedlein, A. Fleurence, T. Ozaki, and Y. Yamada-Takamura，ISSP Activity Report 2011, 47-48 (2012).
• 5.　Experimental evidence for epitaxial silicene on diboride thin films，A. Fleurence, R. Friedlein, T. Ozaki, H. Kawai, Y. Wang, and Y. Yamada-Takamura，Physical Review Letters . (Selected for the June 25, 2012 issue of Virtual Journal of Nanoscale Science & Technology)(Open Access, http://link.aps.org/doi/10.1103/PhysRevLett.108.245501)，108，245501，2012
• 6.　Large-Scale Electronic Transport Calculations of Finite-Length Carbon Nanotubes Bridged between Graphene Electrodes with Lithium-Intercalated Contact，M. Ohfuchi, T. Ozaki, and C. Kaneta，Appl. Phys. Express，4，095101，2011
• 7.　Influence of surface ligands on the electronic structure of Fe-Pt clusters: A density functional theory study，T.T. Trinh, T. Ozaki, and S. Maenosono，Phys. Rev. B，83，104413，2011
• 8.　Accurate finite element method for atomic calculations based on density functional theory and Hartree-Fock method，T. Ozaki and M. Toyoda，Comp. Phys. Comm.，182，1245-1252，2011
• 9.　Exchange functional by a range-separated exchange hole，M. Toyoda and T. Ozaki，Phys. Rev. A，83，032515，2011
• 10.　Tunable electronic transport properties of silicon-fullerene-linked nanowires: Semiconductor, conducting wire, and tunnel diode，K. Nishio, T. Ozaki, T. Morishita, and M. Mikami，Phys. Rev. B，81，115444，2010
• 11.　LIBERI: Library for numerical evaluation of electron-repulsion integrals，M. Toyoda and T. Ozaki，Comp. Phys. Commun.，181，1455，2010
• 12.　Efficient low-order scaling method for large-scale electronic structure calculations with localized basis functions，T. Ozaki，Phys. Rev. B，82， 075131，2010
• 13.　Fast spherical Bessel transform via fast Fourier transform and recurrence formula，M. Toyoda and T. Ozaki，Comp. Phys. Comm.，181，277，2010
• 14.　Dual spin filter effect in a zigzag graphene nanoribbon，T. Ozaki, K. Nishio, H. Weng, and H. Kino，Phys. Rev. B，81，075422，2010
• 15.　Efficient implementation of the nonequilibrium Green function method for electronic transport calculations，T. Ozaki, K. Nishio, and H. Kino，Phys. Rev. B，81，035116，2010
• 16.　Spontaneous Discrimination of Polycyclic Aromatic Hydrocarbon (PAH) Enantiomers on a Metal Surface，G. Otero, G. Biddau, T. Ozaki, B. Gomez-Lor, J. Mendez, R. Perez, J.A. Martin-Gago,，Chemistry - A European Journal，16，13920-13924，2010
• 17.　Effect of on-site Coulomb interactions on the electronic structure and magnetic property of Gd2 cluster，M.J. Han, T. Ozaki, and J. Yu，Chem. Phys. Lett.，492，89，2010
• 18.　Revisiting magnetic coupling in transition-metal-benzene complexes with maximally localized Wannier functions，H. Weng, T. Ozaki, and K. Terakura，Phys. Rev. B，79，235118，2009
• 19.　Anisotropic exchange interactions of spin-orbit-integrated states in Sr2IrO4，H. Jin, H. Jeong, T. Ozaki, and J. Yu，Phys. Rev. B，80，075112，2009
• 20.　Numerical evaluation of electron repulsion integrals for pseudoatomic orbitals and their derivatives，M. Toyoda and T. Ozaki，J. Chem. Phys.，130，124114，2009

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