| Structures and energetics of Ga2O3 polymorphs S Yoshioka, H Hayashi, A Kuwabara, F Oba, K Matsunaga, I Tanaka Journal of Physics: Condensed Matter 19 (34), 346211, 2007 | 418 | 2007 |
| Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations T Tohei, A Kuwabara, F Oba, I Tanaka Physical Review B—Condensed Matter and Materials Physics 73 (6), 064304, 2006 | 322 | 2006 |
| Why is sodium-intercalated graphite unstable? H Moriwake, A Kuwabara, CAJ Fisher, Y Ikuhara RSC advances 7 (58), 36550-36554, 2017 | 276 | 2017 |
| First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound K Toyoura, Y Koyama, A Kuwabara, F Oba, I Tanaka Physical Review B—Condensed Matter and Materials Physics 78 (21), 214303, 2008 | 265 | 2008 |
| 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 | 250 | 2013 |
| First‐Principles Calculations of Lithium‐Ion Migration at a Coherent Grain Boundary in a Cathode Material, LiCoO2 H Moriwake, A Kuwabara, CAJ Fisher, R Huang, T Hitosugi, YH Ikuhara, ... Advanced Materials 25 (4), 618-622, 2013 | 190 | 2013 |
| Oxygen‐vacancy ordering at surfaces of lithium manganese (III, IV) oxide spinel nanoparticles R Huang, YH Ikuhara, T Mizoguchi, SD Findlay, A Kuwabara, CAJ Fisher, ... Angewandte Chemie International Edition 13 (50), 3053-3057, 2011 | 163 | 2011 |
| First-principles study of vacancy formation in hydroxyapatite K Matsunaga, A Kuwabara Physical Review B—Condensed Matter and Materials Physics 75 (1), 014102, 2007 | 161 | 2007 |
| Ab initio lattice dynamics and phase transformations of A Kuwabara, T Tohei, T Yamamoto, I Tanaka Physical Review B—Condensed Matter and Materials Physics 71 (6), 064301, 2005 | 155 | 2005 |
| Effects of Off-Stoichiometry of LiC6 on the Lithium Diffusion Mechanism and Diffusivity by First Principles Calculations K Toyoura, Y Koyama, A Kuwabara, I Tanaka The Journal of Physical Chemistry C 114 (5), 2375-2379, 2010 | 136 | 2010 |
| 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 | 135 | 2006 |
| Crystalline grain interior configuration affects lithium migration kinetics in Li-rich layered oxide H Yu, YG So, A Kuwabara, E Tochigi, N Shibata, T Kudo, H Zhou, ... Nano letters 16 (5), 2907-2915, 2016 | 131 | 2016 |
| 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—Condensed Matter and Materials Physics 72 (2), 024107, 2005 | 124 | 2005 |
| On the structural origin of the catalytic properties of inherently strained ultrasmall decahedral gold nanoparticles MJ Walsh, K Yoshida, A Kuwabara, ML Pay, PL Gai, ED Boyes Nano letters 12 (4), 2027-2031, 2012 | 117 | 2012 |
| Lattice dynamics and thermodynamical properties of silicon nitride polymorphs A Kuwabara, K Matsunaga, I Tanaka Physical Review B—Condensed Matter and Materials Physics 78 (6), 064104, 2008 | 117 | 2008 |
| Lithium atom and A-site vacancy distributions in lanthanum lithium titanate X Gao, CAJ Fisher, T Kimura, YH Ikuhara, H Moriwake, A Kuwabara, ... Chemistry of Materials 25 (9), 1607-1614, 2013 | 113 | 2013 |
| Dislocation-enhanced ionic conductivity of yttria-stabilized zirconia K Otsuka, A Kuwabara, A Nakamura, T Yamamoto, K Matsunaga, ... Applied Physics Letters 82 (6), 877-879, 2003 | 98 | 2003 |
| Cubic and orthorhombic structures of aluminum hydride predicted by a first-principles study X Ke, A Kuwabara, I Tanaka Physical Review B—Condensed Matter and Materials Physics 71 (18), 184107, 2005 | 92 | 2005 |
| Domain boundaries and their influence on Li migration in solid-state electrolyte (La, Li) TiO3 H Moriwake, X Gao, A Kuwabara, CAJ Fisher, T Kimura, YH Ikuhara, ... Journal of Power Sources 276, 203-207, 2015 | 90 | 2015 |
| Chemical Expansion and Change in Lattice Constant of Y‐Doped BaZrO3 by Hydration/Dehydration Reaction and Final Heat‐Treating Temperature C Hiraiwa, D Han, A Kuramitsu, A Kuwabara, H Takeuchi, M Majima, ... Journal of the American Ceramic Society 96 (3), 879-884, 2013 | 87 | 2013 |
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