Publications (21)
Anisotropic superconducting gaps in YNi$_2$B$_2$C: A first-principles investigation
Mitsuaki Kawamura, Ryosuke Akashi, Shinji Tsuneyuki
Numerical Investigation of Triexciton Stabilization in Diamond with Multiple Valleys and Bands
Hiroki Katow, Junko Usukura, Ryosuke Akashi +2
Ferromagnetism above 1000 K in highly cation-ordered double-perovskite insulator Sr3OsO6
Yuki K. Wakabayashi, Yoshiharu Krockenberger, Naoto Tsujimoto +4
Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO$_{3}$ with first-principles anharmonic force constants
Terumasa Tadano, Shinji Tsuneyuki
Optical Absorption Study by Ab initio Downfolding Approach: Application to GaAs
Kazuma Nakamura, Yoshihide Yoshimoto, Ryotaro Arita +2
Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles
Terumasa Tadano, Shinji Tsuneyuki
Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to $sp$-electron systems with deep core states
Masayuki Ochi, Yoshiyuki Yamamoto, Ryotaro Arita +1
Neural-network Kohn-Sham exchange-correlation potential and its out-of-training transferability
Ryo Nagai, Ryosuke Akashi, Shu Sasaki +1
Possible electronic entropy-driven mechanism for non-thermal ablation of metals
Yuta Tanaka, Shinji Tsuneyuki
Possible "Magnéli" phases and self-alloying in the superconducting sulfur hydride
Ryosuke Akashi, Wataru Sano, Ryotaro Arita +1
Crystal Structure Prediction Supported by Incomplete Experimental Data
Naoto Tsujimoto, Daiki Adachi, Ryosuke Akashi +2
An efficient method for calculating spatially extended electronic states of large systems with a divide-and-conquer approach
Shunsuke Yamada, Fuyuki Shimojo, Ryosuke Akashi +1
Role of fluctuation, disorder and catalyst in graphite-diamond transition
Akihito Kikuchi, Shinji Tsuneyuki
Molecular dynamics simulation for pressure-induced structural transition from C$_{60}$ fullerene into amorphous diamond
Akihito Kikuchi, Shinji Tsuneyuki
First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals
Terumasa Tadano, Shinji Tsuneyuki
Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study
Terumasa Tadano, Yoshihiro Gohda, Shinji Tsuneyuki
Search for Common Minima in Joint Optimization of Multiple Cost Functions
Daiki Adachi, Naoto Tsujimoto, Ryosuke Akashi +2
First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides
Ryosuke Akashi, Mitsuaki Kawamura, Shinji Tsuneyuki +2
First-principles Calculation of Effective Onsite Coulomb Interaction of 3d Transition Metals: Constrained Local Density Functional Approach with Maximally Localized Wannier Function
Kazuma Nakamura, Ryotaro Arita, Yoshihide Yoshimoto +1
Correlated Band Structure of a Transition Metal Oxide ZnO Obtained from a Many-Body Wave Function Theory
Masayuki Ochi, Ryotaro Arita, Shinji Tsuneyuki
First-principles study of phonon anharmonicity and negative thermal expansion in ScF3
Yusuke Oba, Terumasa Tadano, Ryosuke Akashi +1