| Crystal structure prediction accelerated by Bayesian optimization T Yamashita, N Sato, H Kino, T Miyake, K Tsuda, T Oguchi Physical Review Materials 2 (1), 013803, 2018 | 160 | 2018 |
| Band alignment tuning in twin-plane superlattices of semiconductor nanowires T Akiyama, T Yamashita, K Nakamura, T Ito Nano letters 10 (11), 4614-4618, 2010 | 52 | 2010 |
| Stability of hydrogen on nonpolar and semipolar nitride surfaces: Role of surface orientation T Akiyama, T Yamashita, K Nakamura, T Ito Journal of crystal growth 318 (1), 79-83, 2011 | 45 | 2011 |
| Crystal structure predictions of NaxC6O6 for sodium-ion batteries: First-principles calculations with an evolutionary algorithm T Yamashita, H Momida, T Oguchi Electrochimica Acta 195, 1-8, 2016 | 38 | 2016 |
| Effects of facet orientation on relative stability between zinc blende and wurtzite structures in group III–V nanowires T Yamashita, T Akiyama, K Nakamura, T Ito Japanese Journal of Applied Physics 49 (5R), 055003, 2010 | 35 | 2010 |
| Cathode properties of perovskite-type NaMF3 (M= Fe, Mn, and Co) prepared by mechanical ball milling for sodium-ion battery A Kitajou, Y Ishado, T Yamashita, H Momida, T Oguchi, S Okada Electrochimica Acta 245, 424-429, 2017 | 33 | 2017 |
| First-principles study on structural and electronic properties of α-S and Na–S crystals H Momida, T Yamashita, T Oguchi Journal of the Physical Society of Japan 83 (12), 124713, 2014 | 30 | 2014 |
| First-Principles Investigation of a Phase Transition in NaxC6O6 as an Organic Cathode Material for Na-ion Batteries: Role of Intermolecule Bonding of C6O6 T Yamashita, H Momida, T Oguchi Journal of the Physical Society of Japan 84 (7), 074703, 2015 | 27 | 2015 |
| Fine-grained optimization method for crystal structure prediction K Terayama, T Yamashita, T Oguchi, K Tsuda npj Computational Materials 4 (1), 32, 2018 | 26 | 2018 |
| Surface reconstructions on GaN and InN semipolar (1122) surfaces T Yamashita, T Akiyama, K Nakamura, T Ito Japanese journal of applied physics 48 (12R), 120201, 2009 | 25 | 2009 |
| Theoretical investigations on the formation of wurtzite segments in group III–V semiconductor nanowires T Yamashita, K Sano, T Akiyama, K Nakamura, T Ito Applied surface science 254 (23), 7668-7671, 2008 | 23 | 2008 |
| CrySPY: a crystal structure prediction tool accelerated by machine learning T Yamashita, S Kanehira, N Sato, H Kino, K Terayama, H Sawahata, ... Science and Technology of Advanced Materials: Methods 1 (1), 87-97, 2021 | 18 | 2021 |
| Theoretical investigation on the structural stability of GaAs nanowires with two different types of facets T Yamashita, T Akiyama, K Nakamura, T Ito Physica E: Low-dimensional Systems and Nanostructures 42 (10), 2727-2730, 2010 | 18 | 2010 |
| Surface reconstructions on GaN and InN semipolar (2021) surfaces T Yamashita, T Akiyama, K Nakamura, T Ito Japanese Journal of Applied Physics 49 (1R), 018001, 2010 | 16 | 2010 |
| Discharge Reaction Mechanisms in Na/FeS2 Batteries: First-Principles Calculations H Momida, A Kitajou, S Okada, T Yamashita, T Oguchi journal of the physical society of japan 84 (12), 124709, 2015 | 14 | 2015 |
| Stability and indium incorporation processes on In0. 25Ga0. 75N surfaces under growth conditions: First-principles calculations T Akiyama, T Yamashita, K Nakamura, T Ito Japanese Journal of Applied Physics 49 (3R), 030212, 2010 | 13 | 2010 |
| Ab initio-based study for adatom kinetics on semipolar GaN (1122) surfaces T Akiyama, T Yamashita, K Nakamura, T Ito Japanese journal of applied physics 48 (12R), 120218, 2009 | 13 | 2009 |
| Adjusting the descriptor for a crystal structure search using Bayesian optimization N Sato, T Yamashita, T Oguchi, K Hukushima, T Miyake Physical Review Materials 4 (3), 033801, 2020 | 8 | 2020 |
| Growth of side facets in InP nanowires: First-principles-based approach T Yamashita, T Akiyama, K Nakamura, T Ito Surface science 609, 207-214, 2013 | 7 | 2013 |
| Theoretical investigation of effect of side facets on adsorption–desorption behaviors of In and P atoms at top layers in InP nanowires T Yamashita, T Akiyama, K Nakamura, T Ito Japanese Journal of Applied Physics 50 (5R), 055001, 2011 | 7 | 2011 |
