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
484 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
391 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
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
313 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
258 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
186 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—Condensed Matter and Materials Physics 80 (16), 165122, 2009
171 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—Condensed Matter and Materials Physics 73 (18), 184117, 2006
141 2006 Pressure-induced phase transition in ZnO and A Seko, F Oba, A Kuwabara, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 72 (2), 024107, 2005
125 2005 Sparse representation for a potential energy surface A Seko, A Takahashi, I Tanaka
Physical Review B 90 (2), 024101, 2014
121 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
98 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
91 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—Condensed Matter and Materials Physics 74 (17), 174202, 2006
81 2006 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
74 2017 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
74 2016 Descriptors for machine learning of materials data A Seko, A Togo, I Tanaka
Nanoinformatics, 3-23, 2018
73 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
72 2017 First-principles study of cation disordering in A Seko, K Yuge, F Oba, A Kuwabara, I Tanaka, T Yamamoto
Physical Review B—Condensed Matter and Materials Physics 73 (9), 094116, 2006
69 2006 Classification of spinel structures based on first-principles cluster expansion analysis A Seko, F Oba, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 81 (5), 054114, 2010
59 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
54 2018 
Isao TanakaKyoto UniversityDirección de correo verificada de kyoto-u.ac.jp