Computational materials science: from ab initio to Monte Carlo methods K Ohno, K Esfarjani, Y Kawazoe
Springer, 2018
460 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
332 1993 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
150 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
147 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
137 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
135 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
124 1997 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 Clusters and nanomaterials: theory and experiment Y Kawazoe, K Ohno, T Kondow
Springer Science & Business Media, 2002
105 2002 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
86 2021 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
85 2016 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
79 2001 Magnetic susceptibility of semiconductors by an all-electron first-principles approach K Ohno, F Mauri, SG Louie
Physical Review B 56 (3), 1009, 1997
78 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
76 1988 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
69 1997 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
68 2021 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
64 1994 Calculations on the magnetic properties of rhodium clusters ZQ Li, JZ Yu, K Ohno, Y Kawazoe
Journal of Physics: Condensed Matter 7 (1), 47, 1995
58 1995 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
57 2001