Atsuto Seko
Atsuto Seko
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Zitiert von
Zitiert von
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
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
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
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
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
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
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
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
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
Sparse representation for a potential energy surface
A Seko, A Takahashi, I Tanaka
Physical Review B 90 (2), 024101, 2014
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
First-principles interatomic potentials for ten elemental metals via compressed sensing
A Seko, A Takahashi, I Tanaka
Physical Review B 92 (5), 054113, 2015
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
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
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
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
Phonon softening in paramagnetic bcc Fe and its relationship to the pressure-induced phase transition
Y Ikeda, A Seko, A Togo, I Tanaka
Physical Review B 90 (13), 134106, 2014
First-principles calculations of the phase diagrams and band gaps in CuInSe-CuGaSe and CuInSe-CuAlSe pseudobinary systems
Y Kumagai, Y Soda, F Oba, A Seko, I Tanaka
Physical Review B 85 (3), 033203, 2012
Classification of spinel structures based on first-principles cluster expansion analysis
A Seko, F Oba, I Tanaka
Physical review B 81 (5), 054114, 2010
First-principles calculation on free energy of precipitate nucleation
A Seko, SR Nishitani, I Tanaka, H Adachi, EF Fujita
Calphad 28 (2), 173-176, 2004
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