| First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach M Otani, O Sugino Physical Review B 73 (11), 115407, 2006 | 753 | 2006 |
| First-principles study on energetics of c-BN (001) reconstructed surfaces J Yamauchi, M Tsukada, S Watanabe, O Sugino Physical Review B 54 (8), 5586, 1996 | 508 | 1996 |
| Dirac fermions in borophene B Feng, O Sugino, RY Liu, J Zhang, R Yukawa, M Kawamura, T Iimori, ... Physical review letters 118 (9), 096401, 2017 | 409 | 2017 |
| Vacancy in Si: Successful description within the local-density approximation O Sugino, A Oshiyama Physical review letters 68 (12), 1858, 1992 | 252 | 1992 |
| Experimental realization of two-dimensional Dirac nodal line fermions in monolayer Cu2Si B Feng, B Fu, S Kasamatsu, S Ito, P Cheng, CC Liu, Y Feng, S Wu, ... Nature communications 8 (1), 1007, 2017 | 247 | 2017 |
| Graphitic ribbons without hydrogen-termination: Electronic structures and stabilities T Kawai, Y Miyamoto, O Sugino, Y Koga Physical Review B 62 (24), R16349, 2000 | 247 | 2000 |
| Ab initio molecular dynamics study of first-order phase transitions: melting of silicon O Sugino, R Car Physical review letters 74 (10), 1823, 1995 | 241 | 1995 |
| Density-functional approach to electron dynamics: Stable simulation under a self-consistent field O Sugino, Y Miyamoto Physical Review B 59 (4), 2579, 1999 | 223 | 1999 |
| First-principles molecular dynamics at a constant electrode potential N Bonnet, T Morishita, O Sugino, M Otani Physical Review Letters 109 (26), 266101, 2012 | 198 | 2012 |
| Electrode dynamics from first principles M Otani, I Hamada, O Sugino, Y Morikawa, Y Okamoto, T Ikeshoji Journal of the Physical Society of Japan 77 (2), 024802, 2008 | 171 | 2008 |
| Completing density functional theory by machine learning hidden messages from molecules R Nagai, R Akashi, O Sugino npj Computational Materials 6 (1), 43, 2020 | 150 | 2020 |
| Structure of the water/platinum interface––a first principles simulation under bias potential M Otani, I Hamada, O Sugino, Y Morikawa, Y Okamoto, T Ikeshoji Physical Chemistry Chemical Physics 10 (25), 3609-3612, 2008 | 143 | 2008 |
| Nonadiabatic couplings from time-dependent density functional theory: Formulation in the Casida formalism and practical scheme within modified linear response C Hu, H Hirai, O Sugino The Journal of chemical physics 127 (6), 2007 | 118 | 2007 |
| First-principles molecular dynamics simulation of biased electrode/solution interface O Sugino, I Hamada, M Otani, Y Morikawa, T Ikeshoji, Y Okamoto Surface Science 601 (22), 5237-5240, 2007 | 115 | 2007 |
| Discovery of 2D anisotropic Dirac cones B Feng, J Zhang, S Ito, M Arita, C Cheng, L Chen, K Wu, F Komori, ... Advanced Materials 30 (2), 1704025, 2018 | 109 | 2018 |
| Roadmap on machine learning in electronic structure HJ Kulik, T Hammerschmidt, J Schmidt, S Botti, MAL Marques, M Boley, ... Electronic Structure 4 (2), 023004, 2022 | 102 | 2022 |
| Green’s function method for elimination of the spurious multipole interaction in the surface/interface slab model I Hamada, M Otani, O Sugino, Y Morikawa Physical Review B 80 (16), 165411, 2009 | 78 | 2009 |
| Microscopic mechanism of atomic diffusion in Si under pressure O Sugino, A Oshiyama Physical Review B 46 (19), 12335, 1992 | 75 | 1992 |
| Comparative study of dehydrogenation of methanol at Pt (1 1 1)/water and Pt (1 1 1)/vacuum interfaces Y Okamoto, O Sugino, Y Mochizuki, T Ikeshoji, Y Morikawa Chemical physics letters 377 (1-2), 236-242, 2003 | 68 | 2003 |
| Improved modeling of electrified interfaces using the effective screening medium method I Hamada, O Sugino, N Bonnet, M Otani Physical Review B 88 (15), 155427, 2013 | 61 | 2013 |
Minoru OtaniUniversity of TsukubaVerifierad e-postadress på ccs.tsukuba.ac.jp
