| First principles phonon calculations in materials science A Togo, I Tanaka Scripta Materialia 108, 1-5, 2015 | 9769 | 2015 |
| First-principles calculations of the ferroelastic transition between rutile-type and -type at high pressures A Togo, F Oba, I Tanaka Physical Review B—Condensed Matter and Materials Physics 78 (13), 134106, 2008 | 5430 | 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 | 1465 | 2008 |
| Distributions of phonon lifetimes in Brillouin zones A Togo, L Chaput, I Tanaka Physical review B 91 (9), 094306, 2015 | 1361 | 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 | 754 | 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 | 717 | 2017 |
| First-principles phonon calculations of thermal expansion in , , and A Togo, L Chaput, I Tanaka, G Hug Physical Review B—Condensed Matter and Materials Physics 81 (17), 174301, 2010 | 610 | 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 | 530 | 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 | 516 | 2001 |
| Implementation strategies in phonopy and phono3py A Togo, L Chaput, T Tadano, I Tanaka Journal of Physics: Condensed Matter 35 (35), 353001, 2023 | 501 | 2023 |
| 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 | 485 | 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 | 467 | 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 | 429 | 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 | 418 | 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 | 391 | 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 | 354 | 2006 |
| 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 | 343 | 2024 |
| 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 | 327 | 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 | 324 | 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 | 315 | 2017 |
Fumiyasu ObaLaboratory for Materials and Structures, Tokyo Institute of TechnologyVerified email at msl.titech.ac.jp
