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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)
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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)
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First principles phonon calculations in materials science
  Togo, Atsushi; Tanaka, Isao (2015-11)
  Scripta Materialia, 108: 1-5
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Special quasirandom structure in heterovalent ionic systems
  Seko, Atsuto; Tanaka, Isao (2015-01)
  Physical Review B, 91(2)
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Efficient determination of alloy ground-state structures
  Seko, Atsuto; Shitara, Kazuki; Tanaka, Isao (2014-11-10)
  Physical Review B, 90(17)
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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)
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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)
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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)
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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
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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
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