Shinji Tsuneyuki

Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations

Terumasa Tadano, Yoshihiro Gohda, Shinji Tsuneyuki · Journal of Physics Condensed Matter · 2014 · 622 citations

Engineering, Size Dependence, Anharmonic Force Constants +20

First-Principles Interatomic Potential of Silica Applied to Molecular Dynamics

Shinji Tsuneyuki, M. Tsukada, Hideo Aoki et al. · Physical Review Letters · 1988 · 607 citations

Engineering, Physics, Natural Sciences +13

Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study

Terumasa Tadano, Yoshihiro Gohda, Shinji Tsuneyuki · Physical Review Letters · 2015 · 248 citations · Full text

Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles

Terumasa Tadano, Shinji Tsuneyuki · Physical Review Letters · 2018 · 197 citations · Full text

New pressure-induced structural transformations in silica obtained by computer simulation

Shinji Tsuneyuki, Yoshtto Matsui, Hideo Aoki et al. · Nature · 1989 · 186 citations

Materials Science, Engineering, Mechanical Behavior +10