ST
Shinji Tsuneyuki
cond-mat.mtrl-scicond-mat.supr-conphysics.chem-phcond-mat.str-elquant-phphysics.comp-phcond-mat.mes-hallElectronscond-mat.othercond-mat.soft
On Valency
published · living versionsW_c628wjaw·v1 · currentpublished
Possible "Magnéli" phases and self-alloying in the superconducting sulfur hydride
with Ryosuke Akashi, Wataru Sano, Ryotaro Arita
1 version
W_myk5ynyh·v1published
Preprints & journals
67 papers in the corpus · 1986–2026An atom-based machine-learned dipole-moment model and application to conjugated systems2609.39002v1 · Yuansheng Zhao, Tamio Yamazaki, Ryohei Hosoya et al.2026 · 0 citationsarXiv
Overcoming the Matrix-Product-State Encoding Barrier via DMRG-Guided Probabilistic Imaginary-Time Evolution2605.30141v1 · Masari Watanabe, Hirofumi Nishi, Taichi Kosugi et al.2026 · 0 citationsarXiv
Search for high-pressure phases of yttrium via a data assimilation approach2605.28171v1 · Yuuki Kubo, Takahiro Ishikawa, Yuta Tanaka et al.2026 · 0 citationsarXiv
Superconducting LaPtH with triatomic hydrogen units2502.06821v1 · T. Ishikawa, Y. Tanaka, S. Tsuneyuki2025 · 0 citationsarXiv
Data-assimilated crystal growth simulation for multiple crystalline phases.39635993 · Kubo, Yuuki, Sato, Ryuhei, Zhao, Yuansheng et al.2024 · 0 citationsThe Journal of chemical physics. 2024;161(21)
Assessing the possible superconductivity in doped perovskite hydride KMgH: Effects of lattice anharmonicity and spin fluctuations2411.09966v1 · Shaocong Lu, Ryosuke Akashi, Mitsuaki Kawamura et al.2024 · 0 citationsarXiv
Transferability of the chemical bond-based machine learning model for dipole moment: the GHz to THz dielectric properties of liquid propylene glycol and polypropylene glycol2410.22718v1 · Tomohito Amano, Tamio Yamazaki, Naoki Matsumura et al.2024 · 3 citationsarXiv
A chemical bond-based machine learning model for dipole moment: Application to dielectric properties of liquid methanol and ethanol2407.08390v1 · Tomohito Amano, Tamio Yamazaki, Shinji Tsuneyuki2024 · 16 citationsarXiv
Qubit encoding for a mixture of localized functions2404.18529v3 · Taichi Kosugi, Shunsuke Daimon, Hirofumi Nishi et al.2024 · 5 citationsPhys. Rev. A 110, 062407 (2024)
Evolutionary search for superconducting phases in the lanthanum-nitrogen-hydrogen system with universal neural network potential2312.01290v1 · Takahiro Ishikawa, Yuta Tanaka, Shinji Tsuneyuki2023 · 7 citationsarXiv
Extended Ensemble Molecular Dynamics for Thermodynamics of Phases2308.08098v1 · Gang Seob Jung, Yoshihide Yoshimoto, Kwang Jin Oh et al.2023 · 1 citationarXiv
Nuclear quantum effect on the elasticity of ice VII under pressure: A path-integral molecular dynamics study2307.14214v1 · Jun Tsuchiya, Motoyuki Shiga, Shinji Tsuneyuki et al.2023 · 12 citationsarXiv
Microscopic mechanism of ultrashort-pulse laser ablation of metals: a molecular dynamics study incorporating electronic entropy effects2302.13282v1 · Yuta Tanaka, Shinji Tsuneyuki2023 · 5 citationsarXiv
A noise-robust data assimilation method for crystal structure determination using powder diffraction intensity.36546799 · Yoshikawa, Seiji, Sato, Ryuhei, Akashi, Ryosuke et al.2022 · 8 citationsThe Journal of chemical physics. 2022;157(22):224112
Lattice dielectric properties of rutile : First-principles anharmonic self-consistent phonon study2210.15873v1 · Tomohito Amano, Tamio Yamazaki, Ryosuke Akashi et al.2022 · 29 citationsarXiv
Accelerating Simulated Annealing of Glassy Materials with Data Assimilation2209.01160v1 · Yuansheng Zhao, Ryuhei Sato, Shinji Tsuneyuki2022 · 9 citationsarXiv
First-Principles Study of the Optical Dipole Trap for Two-Dimensional Excitons in Graphane.35938993 · Katow, Hiroki, Akashi, Ryosuke, Miyamoto, Yoshiyuki et al.2022 · 3 citationsPhysical review letters. 2022;129(4):047401
Improved tetrahedron method for the Brillouin-zone integration applicable to response functions2203.15648v1 · Mitsuaki Kawamura, Yoshihiro Gohda, Shinji Tsuneyuki2022 · 152 citationsPhys. Rev. B 89, 094515 (2014)
Development of the temperature-dependent interatomic potential for molecular dynamics simulation of metal irradiated with an ultrashort pulse laser.35100567 · Tanaka, Yuta, Tsuneyuki, Shinji2022 · 12 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2022;34(16)
The missing quantum number of the Floquet states2111.04288v2 · Cristian M. Le, Ryosuke Akashi, Shinji Tsuneyuki2021 · 5 citationsarXiv
Anharmonic phonon renormalization and thermal transport in the type-I BaGaSn clathrate from first principles2103.00413v2 · Masato Ohnishi, Terumasa Tadano, Shinji Tsuneyuki et al.2021 · 17 citationsarXiv
Coexistence of spontaneous polarization and superconductivity in hole-doped oxyhydrides ATiO_2H (A=K, Rb, Cs): first-principles study2011.13270v1 · Minjae Ghim, Nobuya Sato, Ryosuke Akashi et al.2020 · 3 citationsPhys. Rev. Materials 5, 054802 (2021)
Effect of spin fluctuations on superconductivity in V and Nb: a first-principles study2010.06796v1 · Kentaro Tsutsumi, Yuma Hizume, Mitsuaki Kawamura et al.2020 · 14 citationsPhys. Rev. B 102, 214515 (2020)
Defining a well-ordered Floquet basis by the average energy2005.05631v1 · Cristian M. Le, Ryosuke Akashi, Shinji Tsuneyuki2020 · 5 citationsPhys. Rev. A 102, 042212 (2020)
Relativistic density functional theory with finite-light-speed correction for the Coulomb interaction: a non-relativistic-reduction based approach1911.10670v2 · Tomoya Naito, Ryosuke Akashi, Haozhao Liang et al.2019 · 2 citationsJ. Phys. B 53, 215002 (2020)
Interfacial transmetallation synthesis of a platinadithiolene nanosheet as a potential 2D topological insulator.31217942 · Pal, Tigmansu, Doi, Shotaro, Maeda, Hiroaki et al.2023 · 55 citationsChemical science. 2019;10(20):5218-5225
First-principles study of phonon anharmonicity and negative thermal expansion in ScF31810.08800v4 · Yusuke Oba, Terumasa Tadano, Ryosuke Akashi et al.2018 · 126 citationsPhys. Rev. Materials 3, 033601 (2019)
Search for Common Minima in Joint Optimization of Multiple Cost Functions1808.06846v1 · Daiki Adachi, Naoto Tsujimoto, Ryosuke Akashi et al.2018 · 15 citationsarXiv
Neural-network Kohn-Sham exchange-correlation potential and its out-of-training transferability.29960324 · Nagai, Ryo, Akashi, Ryosuke, Sasaki, Shu et al.2018 · 87 citationsThe Journal of chemical physics. 2018;148(24):241737
Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles.29570340 · Tadano, Terumasa, Tsuneyuki, Shinji2018 · 220 citationsPhysical review letters. 2018;120(10):105901
Universal two-dimensional characteristics in perovskite-type oxyhydrides ATiO2H (A = Li, Na, K, Rb, Cs).28734309 · Sato, Nobuya, Akashi, Ryosuke, Tsuneyuki, Shinji2018 · 1 citationThe Journal of chemical physics. 2017;147(3):034507
Possible electronic entropy-driven mechanism for non-thermal ablation of metals1707.00410v1 · Yuta Tanaka, Shinji Tsuneyuki2017 · 17 citationsarXiv
First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals1706.04744v2 · Terumasa Tadano, Shinji Tsuneyuki2017 · 163 citationsJ. Phys. Soc. Jpn. 87, 041015 (2018)
Crystal Structure Prediction Supported by Incomplete Experimental Data1705.08613v1 · Naoto Tsujimoto, Daiki Adachi, Ryosuke Akashi et al.2017 · 14 citationsPhys. Rev. Materials 2, 053801 (2018)
Correlated Band Structure of a Transition Metal Oxide ZnO Obtained from a Many-Body Wave Function Theory.28128608 · Ochi, Masayuki, Arita, Ryotaro, Tsuneyuki, Shinji2018 · 25 citationsPhysical review letters. 2017;118(2):026402
An efficient method for calculating spatially extended electronic states of large systems with a divide-and-conquer approach1611.06295v2 · Shunsuke Yamada, Fuyuki Shimojo, Ryosuke Akashi et al.2016 · 2 citationsPhys. Rev. B 95, 045106 (2017)
Anisotropic superconducting gaps in YNiBC: A first-principles investigation1610.07329v2 · Mitsuaki Kawamura, Ryosuke Akashi, Shinji Tsuneyuki2016 · 39 citationsPhys. Rev. B 95, 054506 (2017)
Numerical Investigation of Triexciton Stabilization in Diamond with Multiple Valleys and Bands1609.02298v1 · Hiroki Katow, Junko Usukura, Ryosuke Akashi et al.2016 · 7 citationsPhys. Rev. B 95, 125205 (2017)
Possible "Magnéli" Phases and Self-Alloying in the Superconducting Sulfur Hydride.27563975 · Akashi, Ryosuke, Sano, Wataru, Arita, Ryotaro et al.2018 · 76 citationsPhysical review letters. 2016;117(7):075503
Epitaxially stabilized iron thin films via effective strain relief from steps1605.06822v1 · T. Miyamachi, S. Nakashima, S. Kim et al.2016 · 9 citationsPhys. Rev. B 94, 045439 (2016)
Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core states.26979683 · Ochi, Masayuki, Yamamoto, Yoshiyuki, Arita, Ryotaro et al.2016 · 16 citationsThe Journal of chemical physics. 2016;144(10):104109
Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO with first-principles anharmonic force constants1506.01781v3 · Terumasa Tadano, Shinji Tsuneyuki2015 · 635 citationsPhys. Rev. B 92, 054301 (2015)
Impact of rattlers on thermal conductivity of a thermoelectric clathrate: a first-principles study.25793824 · Tadano, Terumasa, Gohda, Yoshihiro, Tsuneyuki, Shinji2015 · 277 citationsPhysical review letters. 2015;114(9):095501
First-principles study of the pressure and crystal-structure dependences of the superconducting transition temperature in compressed sulfur hydrides1502.00936v2 · Ryosuke Akashi, Mitsuaki Kawamura, Shinji Tsuneyuki et al.2015 · 170 citationsPhys. Rev. B 91, 224513 (2015)on Valency
Optical Absorption Spectra Calculated from a First-Principles Wave Function Theory for Solids: Transcorrelated Method Combined with Configuration Interaction Singles.26588551 · Ochi, Masayuki, Tsuneyuki, Shinji2015 · 24 citationsJournal of chemical theory and computation. 2014;10(9):4098-103
Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations.24824156 · Tadano, T, Gohda, Y, Tsuneyuki, S2015 · 667 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2014;26(22):225402
Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: application to band-structure calculation for some semiconductors and insulators.24559343 · Ochi, Masayuki, Sodeyama, Keitaro, Tsuneyuki, Shinji2014 · 13 citationsThe Journal of chemical physics. 2014;140(7):074112
Trimer effects in fragment molecular orbital-linear combination of molecular orbitals calculation of one-electron orbitals for biomolecules.24028108 · Kobori, Tomoki, Sodeyama, Keitaro, Otsuka, Takao et al.2014 · 32 citationsThe Journal of chemical physics. 2013;139(9):094113
Efficient algorithm of the transcorrelated method for periodic systems.22401430 · Ochi, Masayuki, Sodeyama, Keitaro, Sakuma, Rei et al.2012 · 29 citationsThe Journal of chemical physics. 2012;136(9):094108
Two-dimensional intrinsic ferromagnetism at nitride-boride interfaces.21405354 · Gohda, Y, Tsuneyuki, S2011 · 15 citationsPhysical review letters. 2011;106(4):047201
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