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| 書誌情報 | ファイル |
|---|---|
| Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization Seko, Atsuto; Togo, Atsushi; Hayashi, Hiroyuki; Tsuda, Koji; Chaput, Laurent; Tanaka, Isao (2015-11) Physical Review Letters, 115(20) |  |
| First-principles interatomic potentials for ten elemental metals via compressed sensing Seko, Atsuto; Takahashi, Akira; Tanaka, Isao (2015-08-31) Physical Review B, 92(5) | |
| First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao (2015-11) Scripta Materialia, 108: 1-5 | |
| Special quasirandom structure in heterovalent ionic systems Seko, Atsuto; Tanaka, Isao (2015-01) Physical Review B, 91(2) | |
| Efficient determination of alloy ground-state structures Seko, Atsuto; Shitara, Kazuki; Tanaka, Isao (2014-11-10) Physical Review B, 90(17) | |
| First-principles study of bulk ordering and surface segregation in Pt-Rh binary alloys Yuge, K; Seko, A; Kuwabara, A; Oba, F; Tanaka, I (2006-11) PHYSICAL REVIEW B, 74(17) | |
| Variable anisotropy of ionic conduction in lithium nitride: Effect of duplex-charge transfer Kishida, Ippei; Oba, Fumiyasu; Koyama, Yukinori; Kuwabara, Akihide; Tanaka, Isao (2009-06) PHYSICAL REVIEW B, 80(2) | |
| First-principles investigation of atomic structures and stability of proton-exchanged layered sodium titanate Mori, Masahiro; Kumagai, Yu; Matsunaga, Katsuyuki; Tanaka, Isao (2009-04) PHYSICAL REVIEW B, 79(14) | |
| Discovery of a Novel Sn(II)-Based Oxide β-SnMoO 4 for Daylight-Driven Photocatalysis Hayashi, Hiroyuki; Katayama, Shota; Komura, Takahiro; Hinuma, Yoyo; Yokoyama, Tomoyasu; Mibu, Ko; Oba, Fumiyasu; Tanaka, Isao (2016-08) Advanced Science | |
| Theoretical calculation for the multiplet structure of the tetrahedrally coordinated Cr4+ in Y3Al5O12 Ishii, T; Ogasawara, K; Adachi, H; Tanaka, I (2001-07-01) JOURNAL OF CHEMICAL PHYSICS, 115(1): 492-508 | |