First principles phonon calculations in materials science A Togo, I Tanaka
Scripta Materialia 108, 1-5, 2015
9131 2015 First-principles calculations of the ferroelastic transition between rutile-type and A Togo, F Oba, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 78 (13), 134106, 2008
5260 2008 Defect energetics in ZnO: A hybrid Hartree-Fock density functional study F Oba, A Togo, I Tanaka, J Paier, G Kresse
Physical Review B—Condensed Matter and Materials Physics 77 (24), 245202, 2008
1452 2008 Distributions of phonon lifetimes in Brillouin zones A Togo, L Chaput, I Tanaka
Physical review B 91 (9), 094306, 2015
1274 2015 Mechanism of electrical conductivity of transparent InGaZnO 4 M Orita, H Tanji, M Mizuno, H Adachi, I Tanaka
Physical Review B 61 (3), 1811, 2000
752 2000 Band structure diagram paths based on crystallography Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
656 2017 First-principles phonon calculations of thermal expansion in A Togo, L Chaput, I Tanaka, G Hug
Physical Review B—Condensed Matter and Materials Physics 81 (17), 174301, 2010
574 2010 Energetics of native defects in ZnO F Oba, SR Nishitani, S Isotani, H Adachi, I Tanaka
Journal of Applied Physics 90 (2), 824-828, 2001
511 2001 Phonon-phonon interactions in transition metals L Chaput, A Togo, I Tanaka, G Hug
Physical Review B—Condensed Matter and Materials Physics 84 (9), 094302, 2011
499 2011 Prediction of low-thermal-conductivity compounds with first-principles anharmonic lattice-dynamics calculations and Bayesian optimization A Seko, A Togo, H Hayashi, K Tsuda, L Chaput, I Tanaka
Physical review letters 115 (20), 205901, 2015
474 2015 Crystal and electronic structures of superstructural Li1− x [Co1/3Ni1/3Mn1/3] O2 (0≤ x≤ 1) Y Koyama, I Tanaka, H Adachi, Y Makimura, T Ohzuku
Journal of Power Sources 119, 644-648, 2003
464 2003 Structures and energetics of Ga2O3 polymorphs S Yoshioka, H Hayashi, A Kuwabara, F Oba, K Matsunaga, I Tanaka
Journal of Physics: Condensed Matter 19 (34), 346211, 2007
409 2007 Point defects in ZnO: an approach from first principles F Oba, M Choi, A Togo, I Tanaka
Science and Technology of Advanced Materials 12 (3), 034302, 2011
408 2011 Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques J Lee, A Seko, K Shitara, K Nakayama, I Tanaka
Physical Review B 93 (11), 115104, 2016
378 2016 First-principles calculations of native defects in tin monoxide A Togo, F Oba, I Tanaka, K Tatsumi
Physical Review B—Condensed Matter and Materials Physics 74 (19), 195128, 2006
350 2006 Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations T Tohei, A Kuwabara, F Oba, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 73 (6), 064304, 2006
319 2006 Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single-and binary-component solids A Seko, T Maekawa, K Tsuda, I Tanaka
Physical Review B 89 (5), 054303, 2014
315 2014 Spglib: a software library for crystal symmetry search A Togo, I Tanaka
arXiv preprint arXiv:1808.01590 5, 2018
308 2018 Lithium iron borates as high‐capacity battery electrodes A Yamada, N Iwane, Y Harada, S Nishimura, Y Koyama, I Tanaka
Advanced Materials 32 (22), 3583-3587, 2010
298 2010 Representation of compounds for machine-learning prediction of physical properties A Seko, H Hayashi, K Nakayama, A Takahashi, I Tanaka
Physical Review B 95 (14), 144110, 2017
297 2017 
Fumiyasu ObaLaboratory for Materials and Structures, Tokyo Institute of TechnologyПодтвержден адрес электронной почты в домене msl.titech.ac.jp
