| 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 | 463 | 2015 |
| 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 | 347 | 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 | 307 | 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 | 289 | 2017 |
| Accelerated materials design of lithium superionic conductors based on first-principles calculations and machine learning algorithms K Fujimura, A Seko, Y Koyama, A Kuwabara, I Kishida, K Shitara, ... Advanced Energy Materials 3 (8), 980-985, 2013 | 236 | 2013 |
| Structure and stability of a homologous series of tin oxides A Seko, A Togo, F Oba, I Tanaka Physical review letters 100 (4), 045702, 2008 | 180 | 2008 |
| Cluster expansion method for multicomponent systems based on optimal selection of structures for density-functional theory calculations A Seko, Y Koyama, I Tanaka Physical Review B 80 (16), 165122, 2009 | 156 | 2009 |
| Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides: A combined cluster-expansion method and first-principles study A Seko, K Yuge, F Oba, A Kuwabara, I Tanaka Physical Review B 73 (18), 184117, 2006 | 124 | 2006 |
| Pressure-induced phase transition in ZnO and pseudobinary system: A first-principles lattice dynamics study A Seko, F Oba, A Kuwabara, I Tanaka Physical Review B 72 (2), 024107, 2005 | 123 | 2005 |
| Sparse representation for a potential energy surface A Seko, A Takahashi, I Tanaka Physical Review B 90 (2), 024101, 2014 | 110 | 2014 |
| First-principles interatomic potentials for ten elemental metals via compressed sensing A Seko, A Takahashi, I Tanaka Physical Review B 92 (5), 054113, 2015 | 90 | 2015 |
| Native defects in oxide semiconductors: a density functional approach F Oba, M Choi, A Togo, A Seko, I Tanaka Journal of Physics: Condensed Matter 22 (38), 384211, 2010 | 90 | 2010 |
| First-principles study of bulk ordering and surface segregation in Pt-Rh binary alloys K Yuge, A Seko, A Kuwabara, F Oba, I Tanaka Physical Review B 74 (17), 174202, 2006 | 79 | 2006 |
| Machine-learning-based selective sampling procedure for identifying the low-energy region in a potential energy surface: A case study on proton conduction in oxides K Toyoura, D Hirano, A Seko, M Shiga, A Kuwabara, M Karasuyama, ... Physical Review B 93 (5), 054112, 2016 | 69 | 2016 |
| Conceptual and practical bases for the high accuracy of machine learning interatomic potentials: application to elemental titanium A Takahashi, A Seko, I Tanaka Physical Review Materials 1 (6), 063801, 2017 | 66 | 2017 |
| First-principles study of cation disordering in spinel with cluster expansion and Monte Carlo simulation A Seko, K Yuge, F Oba, A Kuwabara, I Tanaka, T Yamamoto Physical Review B 73 (9), 094116, 2006 | 64 | 2006 |
| Descriptors for machine learning of materials data A Seko, A Togo, I Tanaka Nanoinformatics, 3-23, 2018 | 61 | 2018 |
| Mode decomposition based on crystallographic symmetry in the band-unfolding method Y Ikeda, A Carreras, A Seko, A Togo, I Tanaka Physical Review B 95 (2), 024305, 2017 | 58 | 2017 |
| Classification of spinel structures based on first-principles cluster expansion analysis A Seko, F Oba, I Tanaka Physical review B 81 (5), 054114, 2010 | 56 | 2010 |
| Matrix-and tensor-based recommender systems for the discovery of currently unknown inorganic compounds A Seko, H Hayashi, H Kashima, I Tanaka Physical Review Materials 2 (1), 013805, 2018 | 52 | 2018 |
Isao TanakaKyoto UniversityVerified email at kyoto-u.ac.jp
