First-principles interatomic potential of silica applied to molecular dynamics S Tsuneyuki, M Tsukada, H Aoki, Y Matsui
Physical Review Letters 61 (7), 869, 1988
794 1988 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
619 2014 Self-consistent phonon calculations of lattice dynamical properties in cubic T Tadano, S Tsuneyuki
Physical Review B 92 (5), 054301, 2015
524 2015 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
264 2015 New pressure-induced structural transformations in silica obtained by computer simulation S Tsuneyuki, Y Matsui, H Aoki, M Tsukada
Nature 339 (6221), 209-211, 1989
237 1989 Quartic anharmonicity of rattlers and its effect on lattice thermal conductivity of clathrates from first principles T Tadano, S Tsuneyuki
Physical review letters 120 (10), 105901, 2018
191 2018 First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides R Akashi, M Kawamura, S Tsuneyuki, Y Nomura, R Arita
Physical Review B 91 (22), 224513, 2015
184 2015 Anomalous Phase Diagram of Ferroelectric (Ba, Ca) TiO 3 Single Crystals with Giant Electromechanical Response D Fu, M Itoh, S Koshihara, T Kosugi, S Tsuneyuki
Physical review letters 100 (22), 227601, 2008
173 2008 Proposed synthesis path for heterodiamond BC 2 N Y Tateyama, T Ogitsu, K Kusakabe, S Tsuneyuki, S Itoh
Physical Review B 55 (16), R10161, 1997
161 1997 First-principles lattice dynamics method for strongly anharmonic crystals T Tadano, S Tsuneyuki
Journal of the Physical Society of Japan 87 (4), 041015, 2018
156 2018 First-principles study of CO bonding to Pt (111): validity of the Blyholder model H Aizawa, S Tsuneyuki
Surface science 399 (2-3), L364-L370, 1998
156 1998 Molecular-dynamics study of the α to β structural phase transition of quartz S Tsuneyuki, H Aoki, M Tsukada, Y Matsui
Physical review letters 64 (7), 776, 1990
154 1990 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
152 2014 Constant-pressure first-principles studies on the transition states of the graphite-diamond transformation Y Tateyama, T Ogitsu, K Kusakabe, S Tsuneyuki
Physical Review B 54 (21), 14994, 1996
146 1996 Quantum distribution of protons in solid molecular hydrogen at megabar pressures H Kitamura, S Tsuneyuki, T Ogitsu, T Miyake
Nature 404 (6775), 259-262, 2000
142 2000 First-principles calculation of effective onsite Coulomb interactions of K Nakamura, R Arita, Y Yoshimoto, S Tsuneyuki
Physical Review B—Condensed Matter and Materials Physics 74 (23), 235113, 2006
138 2006 First-principles study of phonon anharmonicity and negative thermal expansion in Y Oba, T Tadano, R Akashi, S Tsuneyuki
Physical Review Materials 3 (3), 033601, 2019
123 2019 First principles calculation of a high‐pressure hydrous phase, δ‐AlOOH J Tsuchiya, T Tsuchiya, S Tsuneyuki, T Yamanaka
Geophysical Research Letters 29 (19), 15-1-15-4, 2002
122 2002 A density-functional study of the atomic structures and vibrational spectra of NO/Pt (1 1 1) H Aizawa, Y Morikawa, S Tsuneyuki, K Fukutani, T Ohno
Surface science 514 (1-3), 394-403, 2002
104 2002 Theory of the reionization process observed in low-energy He+-surface scattering S Tsuneyuki, M Tsukada
Physical Review B 34 (8), 5758, 1986
102 1986 