| Computational materials science: from ab initio to Monte Carlo methods K Ohno, K Esfarjani, Y Kawazoe Springer, 2018 | 501 | 2018 |
| Intramolecular structures of molecules adsorbed on the Cu(111)-(1×1) surface T Hashizume, K Motai, XD Wang, H Shinohara, Y Saito, Y Maruyama, ... Physical review letters 71 (18), 2959, 1993 | 334 | 1993 |
| Momentum-dependent band spin splitting in semiconducting MnO 2: a density functional calculation Y Noda, K Ohno, S Nakamura Physical Chemistry Chemical Physics 18 (19), 13294-13303, 2016 | 175 | 2016 |
| Insertion of Be Atoms in Fullerene Cages: T Ohtsuki, K Masumoto, K Ohno, Y Maruyma, Y Kawazoe, K Sueki, ... Physical review letters 77 (17), 3522, 1996 | 151 | 1996 |
| Enhanced Electron-Capture Decay Rate of Encapsulated in Cages T Ohtsuki, H Yuki, M Muto, J Kasagi, K Ohno Physical review letters 93 (11), 112501, 2004 | 150 | 2004 |
| Insertion of Xe and Kr Atoms into and Fullerenes and the Formation of Dimers T Ohtsuki, K Ohno, K Shiga, Y Kawazoe, Y Maruyama, K Masumoto Physical review letters 81 (5), 967, 1998 | 140 | 1998 |
| Jahn-Teller Distortion in Dangling-Bond Linear Chains Fabricated on a Hydrogen-Terminated Si(100)- Surface T Hitosugi, S Heike, T Onogi, T Hashizume, S Watanabe, ZQ Li, K Ohno, ... Physical review letters 82 (20), 4034, 1999 | 132 | 1999 |
| Size and shape effects of quantum dots on two-electron spectra JL Zhu, ZQ Li, JZ Yu, K Ohno, Y Kawazoe Physical Review B 55 (23), 15819, 1997 | 130 | 1997 |
| High-throughput computational discovery of ternary-layered MAX phases and prediction of their exfoliation for formation of 2D MXenes R Khaledialidusti, M Khazaei, S Khazaei, K Ohno Nanoscale 13 (15), 7294-7307, 2021 | 120 | 2021 |
| Ab Initio Molecular Dynamics Simulations for Collision between and Alkali-Metal Ions: A Possibility of Li@ K Ohno, Y Maruyama, K Esfarjani, Y Kawazoe, N Sato, R Hatakeyama, ... Physical review letters 76 (19), 3590, 1996 | 113 | 1996 |
| Electronic and magnetic properties of carbide MXenes—the role of electron correlations S Bae, YG Kang, M Khazaei, K Ohno, YH Kim, MJ Han, KJ Chang, ... Materials Today Advances 9, 100118, 2021 | 100 | 2021 |
| Clusters and nanomaterials: theory and experiment Y Kawazoe, K Ohno, T Kondow Springer Science & Business Media, 2002 | 99 | 2002 |
| Magnetic susceptibility of semiconductors by an all-electron first-principles approach K Ohno, F Mauri, SG Louie Physical Review B 56 (3), 1009, 1997 | 82 | 1997 |
| Scaling theory of star polymers and general polymer networks in bulk and semi-infinite good solvents K Ohno, K Binder Journal de Physique 49 (8), 1329-1351, 1988 | 80 | 1988 |
| Excitons and band structure of highly anisotropic GaTe single crystals A Yamamoto, A Syouji, T Goto, E Kulatov, K Ohno, Y Kawazoe, K Uchida, ... Physical Review B 64 (3), 035210, 2001 | 77 | 2001 |
| Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO3 (M= Cr, Mn, Fe) T Okugawa, K Ohno, Y Noda, S Nakamura Journal of Physics: Condensed Matter 30 (7), 075502, 2018 | 71 | 2018 |
| The dependence of the phase diagram on the range of the attractive intermolecular forces M Hasegawa, K Ohno Journal of Physics: Condensed Matter 9 (16), 3361, 1997 | 71 | 1997 |
| Monte Carlo simulation study of the high-temperature phase diagram of model molecules M Hasegawa, K Ohno The Journal of chemical physics 111 (13), 5955-5963, 1999 | 67 | 1999 |
| Band structure and chemical bonding in BN heterofullerenes K Esfarjani, K Ohno, Y Kawazoe Physical Review B 50 (24), 17830, 1994 | 67 | 1994 |
| Ab initio quasiparticle energies of small sodium clusters by an all-electron mixed-basis approach S Ishii, K Ohno, Y Kawazoe, SG Louie Physical Review B 63 (15), 155104, 2001 | 62 | 2001 |
