Publications (53)
Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single and binary component solids
Atsuto Seko, Tomoya Maekawa, Koji Tsuda +1
Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds
Atsuto Seko, Hiroyuki Hayashi, Hisashi Kashima +1
Efficient determination of alloy ground-state structures
Atsuto Seko, Kazuki Shitara, Isao Tanaka
Superconductivity and its Enhancement under High Pressure in "F-free" Single Crystals of CeOBiS$_2$
Masashi Tanaka, Masanori Nagao, Ryo Matsumoto +6
Prediction model of band-gap for AX binary compounds by combination of density functional theory calculations and machine learning techniques
Joohwi Lee, Atsuto Seko, Kazuki Shitara +1
Ï structure in steel: a first-principles study
Yuji Ikeda, Isao Tanaka
Discovery of low thermal conductivity compounds with first-principles anharmonic lattice dynamics calculations and Bayesian optimization
Atsuto Seko, Atsushi Togo, Hiroyuki Hayashi +3
Group-theoretical high-order rotational invariants for structural representations: Application to linearized machine learning interatomic potential
Atsuto Seko, Atsushi Togo, Isao Tanaka
Stability of the $Ï$ structure of transition elements
Yuji Ikeda, Isao Tanaka
Superconductivity in CeOBiS2 with cerium valence fluctuation
Masanori Nagao, Akira Miura, Ikuo Ueta +2
Coexistence of superconductivity and charge-density wave in the quasi-one-dimensional material HfTe3
Saleem J. Denholme, Akinori Yukawa, Kohei Tsumura +6
Awaking of ferromagnetism in GaMnN through control of Mn valence
Saki Sonoda, Isao Tanaka, Fumiyasu Oba +10
Thermoelectric phase diagram of the SrTiO3-SrNbO3 solid solution system
Yuqiao Zhang, Bin Feng, Hiroyuki Hayashi +4
Growth and physical properties of Ce(O,F)Sb(S,Se)2 single crystals with site-selected chalcogen atoms
Masanori Nagao, Masashi Tanaka, Akira Miura +6
Growth and Anisotropic Properties of RBa_2Cu_3O_x Single-Crystal Whiskers
Masanori Nagao, Satoshi Watauchi, Isao Tanaka +4
Special quasirandom structure in heterovalent ionic systems
Atsuto Seko, Isao Tanaka
Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors
Taizo Shibuya, Jonathan M. Skelton, Adam J. Jackson +4
A sparse representation for potential energy surface
Atsuto Seko, Akira Takahashi, Isao Tanaka
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
Jonathan Michael Skelton, Stephen C. Parker, Atsushi Togo +2
Mode-decomposition based on crystallographic symmetry in the band-unfolding method
Yuji Ikeda, Abel Carreras, Atsuto Seko +2
Growth and superconducting properties of Cd-doped La(O,F)BiS2 single crystals
Masanori Nagao, Masashi Tanaka, Satoshi Watauchi +2
Growth and superconducting anisotropies of F-substituted LaOBiSe2 single crystals
Masanori Nagao, Masashi Tanaka, Satoshi Watauchi +2
Cluster expansion of multicomponent ionic systems with controlled accuracy: Importance of long-range interactions in heterovalent ionic systems
Atsuto Seko, Isao Tanaka
Inducement of superconductivity in Fe(Te,S) by sulfuric acid treatment
Masanori Nagao, Yoshikazu Mizuguchi, Keita Deguchi +3
First-principles interatomic potentials for ten elemental metals via compressed sensing
Atsuto Seko, Akira Takahashi, Isao Tanaka
Structural Analysis and Superconducting Properties of F-Substituted NdOBiS2 Single Crystals
Masanori Nagao, Satoshi Demura, Keita Deguchi +6
Unconventional superconductivity in the BiS$_2$-based layered superconductor NdO$_{0.71}$F$_{0.29}$BiS$_2$
Yuichi Ota, Kozo Okazaki, Haruyoshi Q. Yamamoto +8
Crystal structures of LaO1-xFxBiS2 (x~0.23, 0.46): effect of F doping on distortion of Bi-S plane
Akira Miura, Masanori Nagao, Takahiro Takei +3
C-axis electrical resistivity of PrO$_{1-a}$F$_a$BiS$_2$ single crystals
Masanori Nagao, Akira Miura, Satoshi Watauchi +2
Phonon-phonon interactions in transition metals
Laurent Chaput, Atsushi Togo, Isao Tanaka +1
Growth and superconducting properties of F-substituted ROBiS2 (R = La, Ce, Nd) single crystals
Masanori Nagao, Akira Miura, Satoshi Demura +6
Growth and characterization of (La,Ce)OBiS2 single crystals
Yuji Hanada, Masanori Nagao, Akira Miura +4
Compositional descriptor-based recommender system accelerating the materials discovery
Atsuto Seko, Hiroyuki Hayashi, Isao Tanaka
Anharmonicity in the high-temperature Cmcm phase of SnSe: soft modes and three-phonon interactions
Jonathan M. Skelton, Lee A. Burton, Stephen C. Parker +8
Conceptual and practical bases for the high accuracy of machine learning interatomic potential
Akira Takahashi, Atsuto Seko, Isao Tanaka
First-principles calculation of the lattice thermal conductivities of α-, β-, and γ-Si$_3$N$_4$
Kazuyoshi Tatsumi, Atsushi Togo, Isao Tanaka
Phonon softening in paramagnetic bcc Fe and relationship with pressure-induced phase transition
Yuji Ikeda, Atsuto Seko, Atsushi Togo +1
First-principles high-throughput screening of shape-memory alloys based on energetic, dynamical, and structural properties
Joohwi Lee, Yuji Ikeda, Isao Tanaka
Pressure-induced Insulator to Metal Transition of Mixed Valence Compound Ce(O,F)SbS$_{2}$
Ryo Matsumoto, Masanori Nagao, Masayuki Ochi +11
Growth and transport properties under high pressure of PrOBiS2 single crystals
Masanori Nagao, Akira Miura, Ryo Matsumoto +5
Intrinsic mechanism for high temperature ferromagnetism in GaMnN
Saki Sonoda, Isao Tanaka, Hidekazu Ikeno +9
First principles phonon calculations in materials science
Atsushi Togo, Isao Tanaka
Fabrication of submicron La$_{2-x}$Sr$_{x}$CuO$_{4}$ intrinsic Josephson junction stacks
Yuimaru Kubo, Yamaguchi Takahide, Takayoshi Tanaka +6
Lattice thermal conductivities of two SiO$_2$ polymorphs by first-principles calculation and phonon Boltzmann transport equation
Keiyu Mizokami, Atsushi Togo, Isao Tanaka
Temperature-dependent phonon spectra of magnetic random solid solutions
Yuji Ikeda, Fritz Körmann, Biswanath Dutta +4
Representation of compounds for machine-learning prediction of physical properties
Atsuto Seko, Hiroyuki Hayashi, Keita Nakayama +2
Direct evidence of hidden local spin polarization in a centrosymmetric superconductor LaO$_{0.55}$F$_{0.45}$BiS$_2$
Shi-Long Wu, Kazuki Sumida, Koji Miyamoto +9
Descriptors for Machine Learning of Materials Data
Atsuto Seko, Atsushi Togo, Isao Tanaka
Distribution of phonon lifetime in Brillouin zone
Atsushi Togo, Laurent Chaput, Isao Tanaka
Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power
Akira Takahashi, Atsuto Seko, Isao Tanaka
Vibrational Effects in X-ray Absorption Spectra of 2D Layered Materials
Weine Olovsson, Teruyasu Mizoguchi, Martin Magnuson +4
Categorization of surface polarity from a crystallographic approach
Yoyo Hinuma, Yu Kumagai, Fumiyasu Oba +1
Choice of basis vectors for conventional unit cells revisited
Yoyo Hinuma, Atsushi Togo, Hiroyuki Hayashi +1