| Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations T Tadano, Y Gohda, S Tsuneyuki Journal of Physics: Condensed Matter 26 (22), 225402, 2014 | 524 | 2014 |
| Impact of rattlers on thermal conductivity of a thermoelectric clathrate: a first-principles study T Tadano, Y Gohda, S Tsuneyuki Physical review letters 114 (9), 095501, 2015 | 226 | 2015 |
| Improved tetrahedron method for the Brillouin-zone integration applicable to response functions M Kawamura, Y Gohda, S Tsuneyuki Physical Review B 89 (9), 094515, 2014 | 123 | 2014 |
| Direct observation of ferromagnetism in grain boundary phase of Nd-Fe-B sintered magnet using soft x-ray magnetic circular dichroism T Nakamura, A Yasui, Y Kotani, T Fukagawa, T Nishiuchi, H Iwai, T Akiya, ... Applied Physics Letters 105 (20), 2014 | 104 | 2014 |
| Self-consistent density functional calculation of field emission currents from metals Y Gohda, Y Nakamura, K Watanabe, S Watanabe Physical review letters 85 (8), 1750, 2000 | 102 | 2000 |
| Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN: First-principles calculations Y Gohda, A Oshiyama Physical Review B 78 (16), 161201, 2008 | 99 | 2008 |
| Influence of water on elementary reaction steps in electrocatalysis Y Gohda, S Schnur, A Groß Faraday Discussions 140, 233-244, 2009 | 98 | 2009 |
| Total energy distribution of field-emitted electrons from Al (100) surface with single-atom terminated protrusion Y Gohda, S Watanabe Physical Review Letters 87 (17), 177601, 2001 | 47 | 2001 |
| First-principles study of the role of Cu in improving the coercivity of Nd-Fe-B permanent magnets Y Tatetsu, S Tsuneyuki, Y Gohda Physical Review Applied 6 (6), 064029, 2016 | 42 | 2016 |
| Structure–reactivity relationship for bimetallic electrodes: Pt overlayers and PtAu surface alloys on Au (1 1 1) Y Gohda, A Groß Journal of Electroanalytical Chemistry 607 (1-2), 47-53, 2007 | 42 | 2007 |
| Temperature dependence of the crystal structures and phase fractions of secondary phases in a Nd-Fe-B sintered magnet N Tsuji, H Okazaki, W Ueno, Y Kotani, D Billington, A Yasui, S Kawaguchi, ... Acta Materialia 154, 25-32, 2018 | 39 | 2018 |
| Efficient algorithm based on liechtenstein method for computing exchange coupling constants using localized basis set A Terasawa, M Matsumoto, T Ozaki, Y Gohda Journal of the Physical Society of Japan 88 (11), 114706, 2019 | 34 | 2019 |
| Diversity of hydrogen configuration and its roles in SrTiO3− δ Y Iwazaki, Y Gohda, S Tsuneyuki APL Materials 2 (1), 2014 | 33 | 2014 |
| Ab initio calculation of the electric properties of Al atomic chains under finite bias voltages S Furuya, Y Gohda, N Sasaki, S Watanabe Japanese journal of applied physics 41 (9A), L989, 2002 | 32 | 2002 |
| Strain effects on the magnetic anisotropy of Y2Fe14B examined by first-principles calculations Z Torbatian, T Ozaki, S Tsuneyuki, Y Gohda Applied Physics Letters 104 (24), 2014 | 30 | 2014 |
| Ab initio molecular dynamics study of the Helmholtz layer formed on solid–liquid interfaces and its capacitance Y Ando, Y Gohda, S Tsuneyuki Chemical Physics Letters 556, 9-12, 2013 | 30 | 2013 |
| Role of typical elements in (, C, N, O, F) Y Tatetsu, Y Harashima, T Miyake, Y Gohda Physical Review Materials 2 (7), 074410, 2018 | 29 | 2018 |
| Dependence of the Schottky barrier on the work function at metal/SiON/SiC (0001) interfaces identified by first-principles calculations Y Ando, Y Gohda, S Tsuneyuki Surface science 606 (19-20), 1501-1506, 2012 | 27 | 2012 |
| Local reactivity of ultrathin platinum overlayers and surface alloys on a gold surface Y Gohda, A Groß Surface science 601 (18), 3702-3706, 2007 | 25 | 2007 |
| Prediction of the Curie temperature considering the dependence of the phonon free energy on magnetic states T Tanaka, Y Gohda npj Computational Materials 6 (1), 184, 2020 | 22 | 2020 |
Satoshi WatanabeDepartment of Materials Engineering, The University of TokyoVerified email at cello.t.u-tokyo.ac.jp
