First principles phonon calculations in materials science A Togo, I Tanaka
Scripta Materialia 108, 1-5, 2015
10187 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
5553 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
1467 2008 Distributions of phonon lifetimes in Brillouin zones A Togo, L Chaput, I Tanaka
Physical review B 91 (9), 094306, 2015
1415 2015 Band structure diagram paths based on crystallography Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
758 2017 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
751 2000 Implementation strategies in phonopy and phono3py A Togo, L Chaput, T Tadano, I Tanaka
Journal of Physics: Condensed Matter 35 (35), 353001, 2023
664 2023 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
622 2010 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
546 2011 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
520 2001 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
497 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
468 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
446 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
429 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
400 2016 Spglib: a software library for crystal symmetry search A Togo, K Shinohara, I Tanaka
Science and Technology of Advanced Materials: Methods 4 (1), 2384822, 2024
372 2024 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
356 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
335 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
334 2014 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
333 2017 
Fumiyasu ObaLaboratory for Materials and Structures, Tokyo Institute of Technologyبريد إلكتروني تم التحقق منه على msl.titech.ac.jp