| First principles phonon calculations in materials science A Togo, I Tanaka Scripta Materialia 108, 1-5, 2015 | 8016 | 2015 |
| First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2-type SiO 2 at high pressures A Togo, F Oba, I Tanaka Physical Review B 78 (13), 134106, 2008 | 4978 | 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 77 (24), 245202, 2008 | 1432 | 2008 |
| Distributions of phonon lifetimes in Brillouin zones A Togo, L Chaput, I Tanaka Physical review B 91 (9), 094306, 2015 | 1140 | 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 | 749 | 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 | 549 | 2017 |
| First-principles phonon calculations of thermal expansion in Ti 3 SiC 2, Ti 3 AlC 2, and Ti 3 GeC 2 A Togo, L Chaput, I Tanaka, G Hug Physical Review B 81 (17), 174301, 2010 | 528 | 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 | 506 | 2001 |
| 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 | 448 | 2003 |
| 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 | 442 | 2015 |
| Phonon-phonon interactions in transition metals L Chaput, A Togo, I Tanaka, G Hug Physical Review B 84 (9), 094302, 2011 | 433 | 2011 |
| Point defects in ZnO: an approach from first principles F Oba, M Choi, A Togo, I Tanaka Science and Technology of Advanced Materials, 2011 | 394 | 2011 |
| 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 | 372 | 2007 |
| First-principles calculations of native defects in tin monoxide A Togo, F Oba, I Tanaka, K Tatsumi Physical Review B 74 (19), 195128, 2006 | 334 | 2006 |
| 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 | 324 | 2016 |
| 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 | 294 | 2014 |
| 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 73 (6), 064304, 2006 | 292 | 2006 |
| Lithium iron borates as high‐capacity battery electrodes A Yamada, N Iwane, Y Harada, S Nishimura, Y Koyama, I Tanaka Advanced Materials 22 (32), 3583-3587, 2010 | 290 | 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 | 279 | 2017 |
| Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles JM Skelton, SC Parker, A Togo, I Tanaka, A Walsh Physical Review B 89 (20), 205203, 2014 | 254 | 2014 |
Fumiyasu ObaLaboratory for Materials and Structures, Tokyo Institute of TechnologyVahvistettu sähköpostiosoite verkkotunnuksessa msl.titech.ac.jp
