Isao Tanaka

发表

Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds

Hisashi Kashima, Atsuto Seko, Hiroyuki Hayashi, 2017, 1710.00659.

Compositional descriptor-based recommender system for the materials discovery.

Atsuto Seko, Hiroyuki Hayashi, Isao Tanaka, 2017, The Journal of chemical physics.

DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations

Abel Carreras, Isao Tanaka, Atsushi Togo, 2017, Comput. Phys. Commun..

Ce 4f Electronic States of CeO1-xFxBiS2 Studied by SX-PES and XAS

Masaki Kobayashi, Takanori Wakita, Isao Tanaka, 2016 .

Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles

Yuji Ikeda, Fritz Körmann, Jörg Neugebauer, 2018, Entropy.

A Theoretical Study of Equilibrium Hydrogen Pressures of Ti-V Based Hydrogen Storage Alloys

Atsuto Seko, Takafumi Ogawa, Isao Tanaka, 2016 .

Representation of crystalline compounds for machine-learning prediction of physical properties

Atsuto Seko, Akira Takahashi, Keita Nakayama, 2016 .

Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power.

Atsuto Seko, Akira Takahashi, Isao Tanaka, 2017, The Journal of chemical physics.

X-ray absorption near edge structures of silicon nitride thin film by pulsed laser deposition

Takeo Suga, Isao Tanaka, Teruyasu Mizoguchi, 2004 .

Distributions of phonon lifetimes in Brillouin zones

Isao Tanaka, Atsushi Togo, Laurent Chaput, 2015, 1501.00691.

Grouping of structures for cluster expansion of multicomponent systems with controlled accuracy

Atsuto Seko, Isao Tanaka, Atsuto Seko, 2011 .

Sparse representation for a potential energy surface

Atsuto Seko, Isao Tanaka, Atsuto Seko, 2014, 1403.7995.

Site preference of cation vacancies in Mn-doped Ga2O3 with defective spinel structure

Rong Huang, Hiroyuki Hayashi, Isao Tanaka, 2012 .

Cluster expansion of multicomponent ionic systems with controlled accuracy: importance of long-range interactions in heterovalent ionic systems

Atsuto Seko, Isao Tanaka, Atsuto Seko, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles phonon calculations of thermal expansion in Ti3SiC2, Ti3AlC2, and Ti3GeC2

Isao Tanaka, G. Hug, Atsushi Togo, 2010 .

First-principles multielectron calculations of Ni L 2 , 3 NEXAFS and ELNES for Li Ni O 2 and related compounds

Yukinori Koyama, Kazuyoshi Ogasawara, Isao Tanaka, 2005 .

Doping of hexagonal boron nitride via intercalation: A theoretical prediction

Takashi Taniguchi, Kenji Watanabe, Isao Tanaka, 2010 .

Defect energetics in ZnO: A hybrid Hartree-Fock density functional study

Georg Kresse, Isao Tanaka, Atsushi Togo, 2008 .

Electronic Mechanism of Ag-Cluster Formation in AgBr and AgI

Isao Tanaka, Katsuyuki Matsunaga, I. Tanaka, 1998 .

Energetics of native defects in ZnO

Seiji Isotani, Isao Tanaka, Shigeto R. Nishitani, 2001 .

Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization.

Atsuto Seko, Hiroyuki Hayashi, Isao Tanaka, 2015, Physical review letters.

Accelerated discovery of cathode materials with prolonged cycle life for lithium-ion battery

Yukinori Koyama, Koji Fujita, Shunsuke Murai, 2014, Nature Communications.

Crystal and electronic structures of superstructural Li1−x[Co1/3Ni1/3Mn1/3]O2 (0≤x≤1)

Tsutomu Ohzuku, Yukinori Koyama, Isao Tanaka, 2003 .

Representation of compounds for machine-learning prediction of physical properties

Atsuto Seko, Keita Nakayama, Hiroyuki Hayashi, 2016, 1611.08645.

First-Principles Selection of Solute Elements for Er-Stabilized Bi2O3 Oxide-Ion Conductor with Improved Long-Term Stability at Moderate Temperatures

Atsuto Seko, Yukinori Koyama, Rong Huang, 2017 .

First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures

Isao Tanaka, Atsushi Togo, I. Tanaka, 2008 .

Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis

Yoyo Hinuma, Hideo Hosono, Taisuke Hatakeyama, 2016, Nature Communications.

First-principles calculations of native defects in tin monoxide

Isao Tanaka, Atsushi Togo, Kazuyoshi Tatsumi, 2006 .

First principles calculations for modern ceramic science and engineering

Isao Tanaka, I. Tanaka, F. Oba, 2008, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles screening of structural properties of intermetallic compounds on martensitic transformation

Isao Tanaka, Joohwi Lee, I. Tanaka, 2017, npj Computational Materials.

Lattice thermal conductivities of two SiO2 polymorphs by first-principles calculations and the phonon Boltzmann transport equation

Isao Tanaka, Atsushi Togo, I. Tanaka, 2018, Physical Review B.

Solid State Ionics for Batteries

Shinzo Kohjiya, Tsutomu Minami, Masahiro Tatsumisago, 2005 .

The study of Al-L23 ELNES with resolution-enhancement software and first-principles calculation.

Kazuo Ishizuka, Isao Tanaka, Teruyasu Mizoguchi, 2003, Journal of electron microscopy.

Ab initio charge transfer multiplet calculations on the L_{2,3} XANES and ELNES of 3d transition metal oxides

Isao Tanaka, Teruyasu Mizoguchi, I. Tanaka, 2011 .

First-principles interatomic potentials for ten elemental metals via compressed sensing

Atsuto Seko, Isao Tanaka, Atsuto Seko, 2015, 1505.03994.

Effects of Breit interaction on the L-2,L-3 x-ray absorption near-edge structures of 3d transition metals

Isao Tanaka, I. Tanaka, H. Ikeno, 2008 .

Crystal and Electronic Structure and Magnetic Properties of Divalent Europium Perovskite Oxides EuMO3 (M: Ti, Zr, and Hf): Experimental and First-Principles Approaches.

Koji Fujita, Koji Iwata, Hiroyuki Hayashi, 2012 .

All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures

Claudia Ambrosch-Draxl, Peter Puschnig, Isao Tanaka, 2009 .

Descriptors for Machine Learning of Materials Data

Atsuto Seko, Isao Tanaka, Atsushi Togo, 2017, 1709.01666.

Room temperature ferromagnetism in Mn-doped gamma-Ga2O3 with spinel structure

Rong Huang, Hiroyuki Hayashi, Isao Tanaka, 2006 .

Site-specific electronic structure analysis by channeling EELS and first-principles calculations.

Isao Tanaka, Shunsuke Muto, Kazuyoshi Tatsumi, 2006, Ultramicroscopy.

Band structure diagram paths based on crystallography

Yoyo Hinuma, Giovanni Pizzi, Isao Tanaka, 2016 .

Multiplet calculations of L2,3 x-ray absorption near-edge structures for 3d transition-metal compounds

Eli Stavitski, Isao Tanaka, I. Tanaka, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles multi-electron calculations for L(2,3) ELNES/XANES of 3d transition metal monoxides.

Yukinori Koyama, Isao Tanaka, Teruyasu Mizoguchi, 2006, Ultramicroscopy.

Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids

Atsuto Seko, Isao Tanaka, Koji Tsuda, 2013, 1310.1546.

First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound

Yukinori Koyama, Isao Tanaka, Kazuaki Toyoura, 2008 .

Mechanism of electrical conductivity of transparent InGaZnO4

Masataka Mizuno, Isao Tanaka, I. Tanaka, 2000 .

Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles

Aron Walsh, Stephen C. Parker, Isao Tanaka, 2014, 1405.6290.

Solid-State Chemistry and Electrochemistry of LiCo1 / 3Ni1 / 3Mn1 / 3 O 2 for Advanced Lithium-Ion Batteries I. First-Principles Calculation on the Crystal and Electronic Structures

Tsutomu Ohzuku, Yukinori Koyama, Isao Tanaka, 2004 .

Lithium Iron Borates as High‐Capacity Battery Electrodes

Yukinori Koyama, Shin-ichi Nishimura, Isao Tanaka, 2010, Advanced materials.

Electronic structures of dynamically stable As2O3, Sb2O3, and Bi2O3 crystal polymorphs

Yukinori Koyama, Isao Tanaka, Atsushi Togo, 2011 .

Cluster expansion method for multicomponent systems based on optimal selection of structures for density-functional theory calculations

Atsuto Seko, Yukinori Koyama, Isao Tanaka, 2009 .

First-principles phonon calculations of thermal expansion in Ti3SiC2, Ti3AlC2, and Ti3GeC2

Isao Tanaka, Atsushi Togo, Laurent Chaput, 2010 .