Performance information

• Learning tensor networks with tensor cross interpolation: New algorithms and libraries　　　　　　　　　　　　　　　
  Yuriel Núñez Fernández; Marc K Ritter; Matthieu Jeannin; Jheng-Wei Li; Thomas Kloss; Thibaud Louvet; Satoshi Terasaki; Olivier Parcollet; Jan von Delft; Hiroshi Shinaoka; Xavier Waintal
  SciPost Physics, Volume：18, First page：104, Mar. 2025, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.21468/SciPostPhys.18.3.104
  DOI ID：10.21468/SciPostPhys.18.3.104, ORCID：180482427, 共同研究・競争的資金等ID：44554459;49832578;32210400;32754248;13805426
• Compactness of quantics tensor train representations of local imaginary-time propagators　　　　　　　　　　　　　　　
  Haruto Takahashi; Rihito Sakurai; Hiroshi Shinaoka
  SciPost Physics, Volume：18, First page：007, Jan. 2025, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.21468/SciPostPhys.18.1.007
  DOI ID：10.21468/SciPostPhys.18.1.007, ORCID：175262904, 共同研究・競争的資金等ID：44554459;32210400;45247862;32754248
• Ab initio study on heavy-fermion behavior in LiV2O4 : Role of Hund's coupling and stability
  Steffen Backes; Yusuke Nomura; Ryotaro Arita; Hiroshi Shinaoka
  Physical Review B, Volume：111, Number：4, First page：L041102, Jan. 2025
  American Physical Society (APS), Scientific journal
  DOI：https://doi.org/10.1103/physrevb.111.l041102
  DOI ID：10.1103/physrevb.111.l041102, ISSN：2469-9950, eISSN：2469-9969, ORCID：174864400
• Multipolar ordering from dynamical mean field theory with application to CeB6
  Junya Otsuki; Kazuyoshi Yoshimi; Hiroshi Shinaoka; Harald O. Jeschke
  Physical Review B, Volume：110, Number：3, First page：035104, Jul. 2024, [Reviewed]
  American Physical Society (APS), Scientific journal
  DOI：https://doi.org/10.1103/physrevb.110.035104
  DOI ID：10.1103/physrevb.110.035104, ISSN：2469-9950, eISSN：2469-9969, 共同研究・競争的資金等ID：32754248
• Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models　　　　　　　　　　　　　　　
  Rihito Sakurai; Oliver J. Backhouse; George H. Booth; Wataru Mizukami; Hiroshi Shinaoka
  Physical Review Research, Volume：6, First page：023110, May 2024, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevResearch.6.023110
  DOI ID：10.1103/PhysRevResearch.6.023110, ORCID：158806845, 共同研究・競争的資金等ID：44554459;32210400;45247862
• Nonequilibrium diagrammatic many-body simulations with quantics tensor trains
  Matthias Murray; Hiroshi Shinaoka; Philipp Werner
  Physical Review B, Volume：109, Number：16, First page：165135, Apr. 2024, [Reviewed]
  American Physical Society (APS), Scientific journal
  DOI：https://doi.org/10.1103/physrevb.109.165135
  DOI ID：10.1103/physrevb.109.165135, ISSN：2469-9950, eISSN：2469-9969, ORCID：157905722
• Monte Carlo study on low-temperature phase diagrams of the J1−J2 classical XY kagome antiferromagnet　　　　　　　　　　　　　　　
  Fumiya Kakizawa; Takahiro Misawa; Hiroshi Shinaoka
  Physical Review B, Jan. 2024, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.109.014439
  DOI ID：10.1103/PhysRevB.109.014439, ORCID：152043453
• Quantics Tensor Cross Interpolation for High-Resolution Parsimonious Representations of Multivariate Functions
  Ritter, M.K.; N{\'u; n}ez Fern{\'a}ndez, Y.; Wallerberger, M.; Von Delft, J.; Shinaoka, H.; Waintal, X.
  Physical Review Letters, Volume：132, Number：5, Jan. 2024, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevLett.132.056501
  DOI ID：10.1103/PhysRevLett.132.056501, ISSN：1079-7114, ORCID：172931366, SCOPUS ID：85184021701
• Material-based analysis of spin-orbital Mott insulators　　　　　　　　　　　　　　　
  Ryuta Iwazaki; Hiroshi Shinaoka; Shintaro Hoshino
  Physical Review B, Dec. 2023, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.108.L241108
  DOI ID：10.1103/PhysRevB.108.L241108, ORCID：148573134
• Hidden covalent insulator and spin excitations in SrRu2O6　　　　　　　　　　　　　　　
  Diana Csontosova; Jiří Chaloupka; Hiroshi Shinaoka; Atsushi Hariki; Jan Kunes
  Physical Review B, Nov. 2023, [Reviewed]
  English, Scientific journal
  DOI：https://doi.org/10.1103/physrevb.108.195137
  DOI ID：10.1103/physrevb.108.195137, ISSN：2469-9950, ORCID：148880345
• Multiscale Space-Time Ansatz for Correlation Functions of Quantum Systems Based on Quantics Tensor Trains　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Markus Wallerberger; Yuta Murakami; Kosuke Nogaki; Rihito Sakurai; Philipp Werner; Anna Kauch
  Physical Review X, Apr. 2023, [Reviewed], [Lead]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevX.13.021015
  DOI ID：10.1103/PhysRevX.13.021015, ORCID：133884246
• Sparse Modeling Approach for Quasiclassical Theory of Superconductivity
  Yuki Nagai; Hiroshi Shinaoka
  Journal of the Physical Society of Japan, Volume：92, Number：3, Mar. 2023, [Reviewed], [Last]
  Scientific journal
  DOI：https://doi.org/10.7566/JPSJ.92.034703
  DOI ID：10.7566/JPSJ.92.034703, ISSN：1347-4073, ORCID：128874490, SCOPUS ID：85148716248
• Bosonic Nevanlinna Analytic Continuation
  Kosuke Nogaki; Hiroshi Shinaoka
  Journal of the Physical Society of Japan, Volume：92, Number：3, Mar. 2023, [Reviewed], [Last]
  Scientific journal
  DOI：https://doi.org/10.7566/JPSJ.92.035001
  DOI ID：10.7566/JPSJ.92.035001, ISSN：1347-4073, ORCID：128962429, SCOPUS ID：85148977936
• sparse-ir: Optimal compression and sparse sampling of many-body propagators
  Markus Wallerberger; Samuel Badr; Shintaro Hoshino; Sebastian Huber; Fumiya Kakizawa; Takashi Koretsune; Yuki Nagai; Kosuke Nogaki; Takuya Nomoto; Hitoshi Mori; Junya Otsuki; Soshun Ozaki; Thomas Plaikner; Rihito Sakurai; Constanze Vogel; Niklas Witt; Kazuyoshi Yoshimi; Hiroshi Shinaoka
  SoftwareX, Volume：21, First page：101266, Last page：101266, Feb. 2023, [Reviewed], [Last]
  Elsevier BV, Scientific journal
  DOI：https://doi.org/10.1016/j.softx.2022.101266
  DOI ID：10.1016/j.softx.2022.101266, ISSN：2352-7110, ORCID：131623330, SCOPUS ID：85143490206
• Efficient ab initio many-body calculations based on sparse modeling of Matsubara Green's function
  Hiroshi Shinaoka; Naoya Chikano; Emanuel Gull; Jia Li; Takuya Nomoto; Junya Otsuki; Markus Wallerberger; Tianchun Wang; Kazuyoshi Yoshimi
  SciPost Physics Lecture Notes, Volume：63, Sep. 2022, [Reviewed], [Lead]
  This lecture note reviews recently proposed sparse-modeling approaches for efficient ab initio many-body calculations based on the data compression of Green's functions.The sparse-modeling techniques are based on a compact orthogonal basis, an intermediate representation (IR) basis, for imaginary-time and Matsubara Green's functions.A sparse sampling method based on the IR basis enables solving diagrammatic equations efficiently.We describe the basic properties of the IR basis, the sparse sampling method and its applications to ab initio calculations based on the GW approximation and the Migdal--Eliashberg theory.We also describe a numerical library for the IR basis and the sparse sampling method, sparse-ir, and provide its sample codes.This lecture note follows the Japanese review article [H. Shinaoka et al., Solid State Physics 56(6), 301 (2021)].
  Stichting SciPost, Scientific journal
  DOI：https://doi.org/10.21468/scipostphyslectnotes.63
  DOI ID：10.21468/scipostphyslectnotes.63, ISSN：2590-1990, eISSN：2590-1990, ORCID：131623332, SCOPUS ID：85148998792
• Hybrid quantum-classical algorithm for computing imaginary-time correlation functions
  Rihito Sakurai; Wataru Mizukami; Hiroshi Shinaoka
  Physical Review Research, Volume：4, Number：2, Jun. 2022, [Reviewed], [Last]
  American Physical Society ({APS}), English, Scientific journal
  DOI：https://doi.org/10.1103/physrevresearch.4.023219
  DOI ID：10.1103/physrevresearch.4.023219, ISSN：2643-1564, eISSN：2643-1564, ORCID：114558166
• Multipolar ordering in the three-orbital Hubbard model
  Chikano, N.; Hoshino, S.; Shinaoka, H.
  Physical Review B, Volume：104, Number：23, Dec. 2021, [Reviewed], [Last]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.104.235125
  DOI ID：10.1103/PhysRevB.104.235125, ISSN：2469-9969, ORCID：131623365, SCOPUS ID：85122087232
• Solving the Bethe-Salpeter equation with exponential convergence
  Markus Wallerberger; Hiroshi Shinaoka; Anna Kauch
  Physical Review Research, Volume：3, Number：3, Aug. 2021, [Reviewed], [Lead]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevResearch.3.033168
  DOI ID：10.1103/PhysRevResearch.3.033168, ISSN：2643-1564, ORCID：98735554, SCOPUS ID：85114024810
• DCore: Integrated DMFT software for correlated electrons
  Hiroshi Shinaoka; Junya Otsuki; Mitsuaki Kawamura; Nayuta Takemori; Kazuyoshi Yoshimi
  SciPost Physics, Volume：10, Number：5, May 2021, [Reviewed], [Lead]
  We present a new open-source program, DCore, that implements dynamical mean-field theory (DMFT).
  DCore features a user-friendly interface based on text and HDF5 files.
  It allows DMFT calculations of tight-binding models to be performed on predefined lattices as well as ab initio models constructed by external density functional theory codes through the Wannier90 package.
  Furthermore, DCore provides interfaces to many advanced quantum impurity solvers such as quantum Monte Carlo and exact diagonalization solvers.
  This paper details the structure and usage of DCore and shows some applications.
  Stichting SciPost, Scientific journal
  DOI：https://doi.org/10.21468/scipostphys.10.5.117
  DOI ID：10.21468/scipostphys.10.5.117, eISSN：2542-4653
• Sparse modeling of large-scale quantum impurity models with low symmetries
  Shinaoka, H.; Nagai, Y.
  Physical Review B, Volume：103, Number：4, 2021, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.103.045120
  DOI ID：10.1103/PhysRevB.103.045120, ISSN：2469-9969, ORCID：95136545, SCOPUS ID：85100231378
• Efficient ab initio Migdal-Eliashberg calculation considering the retardation effect in phonon-mediated superconductors　　　　　　　　　　　　　　　
  Tianchun Wang; Takuya Nomoto; Yusuke Nomura; Hiroshi Shinaoka; Junya Otsuki; Takashi Koretsune; Ryotaro Arita
  Physical Review B, Oct. 2020, [Reviewed]
  We formulate an efficient scheme to perform Migdal-Eliashberg calculation
  considering the retardation effect from first principles. While the
  conventional approach requires a huge number of Matsubara frequencies, we show
  that the intermediate representation of the Green's function [H. Shinaoka et
  al., Phys. Rev. B 96, 035147 (2017)] dramatically reduces the numerical cost to
  solve the linearized gap equation. Without introducing any empirical parameter,
  we demonstrate that we can successfully reproduce the experimental
  superconducting transition temperature of elemental Nb ($\sim 10$ K) very
  accurately. The present result indicates that our approach has a superior
  performance for many superconductors for which $T_{\rm c}$ is lower than
  ${\mathcal O}(10)$ K
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.102.134503
  DOI ID：10.1103/PhysRevB.102.134503, ORCID：81669779, arXiv ID：arXiv:2004.08591
• Spiral order from orientationally correlated random bonds in classical XY models　　　　　　　　　　　　　　　
  Andrea Scaramucci; Hiroshi Shinaoka; Maxim V. Mostovoy; Rui Lin; Christopher Mudry; Markus Müller
  Physical Review Research, Mar. 2020, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevResearch.2.013273
  DOI ID：10.1103/PhysRevResearch.2.013273, ORCID：70563506
• Sparse Modeling in Quantum Many-Body Problems
  Junya Otsuki; Masayuki Ohzeki; Hiroshi Shinaoka; Kazuyoshi Yoshimi
  Journal of the Physical Society of Japan, Volume：89, Number：1, First page：012001, Last page：012001, Jan. 2020, [Reviewed], [Invited]
  Physical Society of Japan, Scientific journal
  DOI：https://doi.org/10.7566/jpsj.89.012001
  DOI ID：10.7566/jpsj.89.012001, ISSN：0031-9015, eISSN：1347-4073
• Efficient implementation of the continuous-time interaction-expansion quantum Monte Carlo method　　　　　　　　　　　　　　　
  Shinaoka, H.; Nomura, Y.; Gull, E.
  Computer Physics Communications, Volume：252, 2020, [Reviewed]
  We describe an open-source implementation of the continuous-time
  
  interaction-expansion quantum Monte Carlo method for cluster-type impurity
  
  models with onsite Coulomb interactions and complex Weiss functions. The code
  
  is based on the ALPS libraries.
  Scientific journal
  DOI：https://doi.org/10.1016/j.cpc.2019.06.016
  DOI ID：10.1016/j.cpc.2019.06.016, ORCID：69394122, arXiv ID：arXiv:1807.05238, SCOPUS ID：85071536136
• Sparse sampling and tensor network representation of two-particle Green's functions
  Hiroshi Shinaoka; Dominique Geffroy; Markus Wallerberger; Junya Otsuki; Kazuyoshi Yoshimi; Emanuel Gull; Jan Kuneš
  SciPost Phys., Volume：8, First page：12, Last page：12, 2020, [Reviewed]
  SciPost, Scientific journal
  DOI：https://doi.org/10.21468/SciPostPhys.8.1.012
  DOI ID：10.21468/SciPostPhys.8.1.012, ORCID：70583857
• Sparse sampling approach to efficient ab initio calculations at finite temperature　　　　　　　　　　　　　　　
  Li, Jia; Wallerberger, Markus; Chikano, Naoya; Yeh, Chia-Nan; Gull, Emanuel; Shinaoka, Hiroshi
  PHYSICAL REVIEW B, Volume：101, Number：3, Jan. 2020, [Reviewed]
  Efficient ab initio calculations of correlated materials at finite temperatures require compact representations of the Green's functions both in imaginary time and in Matsubara frequency. In this paper, we introduce a general procedure which generates sparse sampling points in time and frequency from compact orthogonal basis representations, such as Chebyshev polynomials and intermediate representation basis functions. These sampling points accurately resolve the information contained in the Green's function, and efficient transforms between different representations are formulated with minimal loss of information. As a demonstration, we apply the sparse sampling scheme to diagrammatic GW and second-order Green's function theory calculations of a hydrogen chain of noble gas atoms and of a silicon crystal.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.101.035144
  DOI ID：10.1103/PhysRevB.101.035144, ISSN：2469-9950, eISSN：2469-9969, Web of Science ID：WOS:000509483200003
• First-principles studies of spin-orbital physics in pyrochlore oxides
  Hiroshi Shinaoka; Yukitoshi Motome; Takashi Miyake; Shoji Ishibashi; Philipp Werner
  Journal of Physics: Condensed Matter, Volume：31, Number：32, First page：323001, Last page：323001, Aug. 2019, [Reviewed]
  {IOP} Publishing, Scientific journal
  DOI：https://doi.org/10.1088/1361-648X/ab162f
  DOI ID：10.1088/1361-648X/ab162f, ORCID：63353581, SCOPUS ID：85067176508
• Construction and analysis of first-principles model of Cd₂Re₂O₇　　　　　　　　　　　　　　　
  Chikano Naoya; Nomura Yusuke; Yoshimi Kazuyoshi; Otsuki Junya; Shinaoka Hiroshi
  Meeting Abstracts of the Physical Society of Japan, Volume：74.1, First page：2180, Last page：2180, 2019
  The Physical Society of Japan, Japanese
  DOI：https://doi.org/10.11316/jpsgaiyo.74.1.0_2180
  DOI ID：10.11316/jpsgaiyo.74.1.0_2180, eISSN：2189-0803, CiNii Articles ID：130008147093
• Strong-coupling formula for momentum-dependent susceptibilities in dynamical mean-field theory
  Otsuki J; Yoshimi K; Shinaoka H; Nomura Y
  Physical Review B, Volume：99, Number：16, 2019, [Reviewed]
  American Physical Society (APS), Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.99.165134
  DOI ID：10.1103/PhysRevB.99.165134, ISSN：2469-9950, eISSN：2469-9969, ORCID：60695453, SCOPUS ID：85065136483
• irbasis: Open-source database and software for intermediate-representation basis functions of imaginary-time Green's function
  Chikano N; Yoshimi K; Otsuki J; Shinaoka H
  Computer Physics Communications, Volume：240, First page：181, Last page：188, 2019, [Reviewed]
  The open-source library, irbasis, provides easy-to-use tools for two sets of orthogonal functions named intermediate representation (IR). The IR basis enables a compact representation of the Matsubara Green's function and efficient calculations of quantum models. The IR basis functions are defined as the solution of an integral equation whose analytical solution is not available for this moment. The library consists of a database of pre-computed high-precision numerical solutions and computational code for evaluating the functions from the database. This paper describes technical details and demonstrates how to use the library. Program summary: Program Title: irbasis Program Files doi: http://dx.doi.org/10.17632/2fh88ynxm6.1 Licensing provisions: MIT license Programming language: C++, Python. External routines/libraries: numpy, scipy and h5py for Python library, HDF5 C library for C++ library. Nature of problem: Numerical orthogonal systems for Green's function Solution method: Galerkin method, piece-wise polynomial representation
  Scientific journal
  DOI：https://doi.org/10.1016/j.cpc.2019.02.006
  Scopus Citedby：https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=85063005920&origin=inward
  DOI ID：10.1016/j.cpc.2019.02.006, ISSN：0010-4655, ORCID：60696036, SCOPUS ID：85063005920
• SpM: Sparse modeling tool for analytic continuation of imaginary-time Green's function
  Yoshimi K; Otsuki J; Motoyama Y; Ohzeki M; Shinaoka H
  Computer Physics Communications, Volume：244, First page：319, Last page：323, 2019, [Reviewed]
  We present SpM, a sparse modeling tool for the analytic continuation of imaginary-time Green's function, licensed under GNU General Public License version 3. In quantum Monte Carlo simulation, dynamic physical quantities such as single-particle and magnetic excitation spectra can be obtained by applying analytic continuation to imaginary-time data. However, analytic continuation is an ill-conditioned inverse problem and thus sensitive to noise and statistical errors. SpM provides stable analytic continuation against noise by means of a modern regularization technique, which automatically selects bases that contain relevant information unaffected by noise. This paper details the use of this program and shows some applications. Program summary: Program Title: SpM Program Files doi: http://dx.doi.org/10.17632/ycmpsnv5yx.1 Licensing provisions: GNU General Public License version 3 Programming language: C++. External routines/libraries: BLAS, LAPACK, and CPPLapack libraries. Nature of problem: The analytic continuation of imaginary-time input data to real-frequency spectra is known to be an ill-conditioned inverse problem and very sensitive to noise and the statistic errors. Solution method: By using a modern regularization technique, analytic continuation is made robust against noise since the basis that is unaffected by the noise is automatically selected.
  Scientific journal
  DOI：https://doi.org/10.1016/j.cpc.2019.07.001
  Scopus Citedby：https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=85069706257&origin=inward
  DOI ID：10.1016/j.cpc.2019.07.001, ISSN：0010-4655, ORCID：60695434, SCOPUS ID：85069706257
• Smooth self-energy in the exact-diagonalization-based dynamical mean-field theory: intermediate-representation filtering approach
  Nagai, Y.; Shinaoka, H.
  Journal of the Physical Society of Japan, Volume：88, Number：6, 2019, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.7566/JPSJ.88.064004
  DOI ID：10.7566/JPSJ.88.064004, ORCID：60695449, SCOPUS ID：85067315151
• Enhanced thermopower in the correlated semimetallic phase of hole-doped pyrochlore iridates
  Kaneko, R.; Huebsch, M.-T.; Sakai, S.; Arita, R.; Shinaoka, H.; Ueda, K.; Tokura, Y.; Fujioka, J.
  Physical Review B, Volume：99, Number：16, 2019, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.99.161104
  DOI ID：10.1103/PhysRevB.99.161104, ORCID：60695429, SCOPUS ID：85064130485
• Overcomplete compact representation of two-particle Green's functions　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Junya Otsuki; Kristjan Haule; Markus Wallerberger; Emanuel Gull; Kazuyoshi Yoshimi; Masayuki Ohzeki
  Physical Review B, Volume：97, Number：20, First page：205111, May 2018, [Reviewed]
  Two-particle Green's functions and the vertex functions play a critical role in theoretical frameworks for describing strongly correlated electron systems. However, numerical calculations at the two-particle level often suffer from large computation time and massive memory consumption. We derive a general expansion formula for the two-particle Green's functions in terms of an overcomplete representation based on the recently proposed "intermediate representation" basis. The expansion formula is obtained by decomposing the spectral representation of the two-particle Green's function. We demonstrate that the expansion coefficients decay exponentially, while all high-frequency and long-tail structures in the Matsubara-frequency domain are retained. This representation therefore enables efficient treatment of two-particle quantities and opens a route to the application of modern many-body theories to realistic strongly correlated electron systems.
  American Physical Society, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.97.205111
  Scopus：https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85047081152&origin=inward
  Scopus Citedby：https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=85047081152&origin=inward
  DOI ID：10.1103/PhysRevB.97.205111, ISSN：2469-9969, eISSN：2469-9969, ORCID：49363919, SCOPUS ID：85047081152, Web of Science ID：WOS:000432031000004
• Multiferroic Magnetic Spirals Induced by Random Magnetic Exchanges　　　　　　　　　　　　　　　
  Andrea Scaramucci; Hiroshi Shinaoka; Maxim V. Mostovoy; Markus Müller; Christopher Mudry; Matthias Troyer; Nicola A. Spaldin
  Physical Review X, Volume：8, Number：1, First page：011005, Jan. 2018, [Reviewed]
  Multiferroism can originate from the breaking of inversion symmetry caused by magnetic-spiral order. The usual mechanism for stabilizing a magnetic spiral is competition between magnetic exchange interactions differing by their range and sign, such as nearest-neighbor and next-nearest-neighbor interactions. In insulating compounds, it is unusual for these interactions to be both comparable in magnitude and of a strength that can induce magnetic ordering at room temperature. Therefore, the onset temperatures for multiferroism through this mechanism are typically low. By considering a realistic model for multiferroic YBaCuFeO5, we propose an alternative mechanism for magnetic-spiral order, and hence for multiferroism, that occurs at much higher temperatures. We show, using Monte Carlo simulations and electronic structure calculations based on density functional theory, that the Heisenberg model on a geometrically nonfrustrated lattice with only nearest-neighbor interactions can have a spiral phase up to high temperature when frustrating bonds are introduced randomly along a single crystallographic direction as caused, e.g., by a particular type of chemical disorder. This long-range correlated pattern of frustration avoids ferroelectrically inactive spin-glass order. Finally, we provide an intuitive explanation for this mechanism and discuss its generalization to other materials.
  American Physical Society, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevX.8.011005
  DOI ID：10.1103/PhysRevX.8.011005, ISSN：2160-3308, ORCID：49363918, SCOPUS ID：85041084294, Web of Science ID：WOS:000419715500002
• Performance analysis of a physically constructed orthogonal representation of imaginary-time Green's function　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  Physical Review B, Volume：98, Number：3, First page：035104, Last page：035104, 2018, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.1103/PHYSREVB.98.035104
  DOI ID：10.1103/PHYSREVB.98.035104, ORCID：56651568, Web of Science ID：WOS:000437110200001
• Limitations of constrained random phase approximation downfolding　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  Physical Review B, Volume：98, Number：23, First page：235151, 2018, [Reviewed]
  Scientific journal
  DOI：https://doi.org/10.1103/PHYSREVB.98.235151
  DOI ID：10.1103/PHYSREVB.98.235151, ORCID：56651569, Web of Science ID：WOS:000454422900004
• Quantum Monte Carlo impurity solvers for multi-orbital problems and frequency-dependent interactions　　　　　　　　　　　　　　　
  H. Shinaoka; F. Assaad; N. Bluemer; P. Werner
  EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS, Volume：226, Number：11, First page：2499, Last page：2523, Jul. 2017, [Reviewed]
  The solution of an auxiliary quantum impurity system is the computationally expensive step in dynamical mean field theory simulations of lattice models and materials. In this review, we discuss Monte Carlo based impurity solvers, which are suitable for a wide range of applications. In particular, we present an efficient implementation of the hybridization expansion approach, which enables the simulation of multiorbital impurity problems with off-diagonal and complex hybridizations, and dynamically screened (retarded) density-density interactions. As a complementary approach, we discuss an impurity solver based on the determinant Monte Carlo method, which scales favorably with inverse temperature and hence provides access to the very low temperature regime. The usefulness of these state-of-the-art impurity solvers is demonstrated with applications to the downfolding problem, i.e., the systematic derivation of dynamically screened interactions for low-energy effective models, and to pyrochlore iridates, where the spin-orbit coupling leads to complex hybridization functions in a multi-orbital system. As a benchmark for cluster extensions of dynamical mean field theory, we also present results from lattice Monte Carlo simulations for the momentum dependence of the pseudo-gap in the half-filled two-dimensional Hubbard model.
  SPRINGER HEIDELBERG, English
  DOI：https://doi.org/10.1140/epjst/e2017-70050-x
  DOI ID：10.1140/epjst/e2017-70050-x, ISSN：1951-6355, eISSN：1951-6401, ORCID：49363923, Web of Science ID：WOS:000404918800005
• Compressing Green's function using intermediate representation between imaginary- ime and real-frequency domains　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Junya Otsuki; Masayuki Ohzeki; Kazuyoshi Yoshimi
  PHYSICAL REVIEW B, Volume：96, Number：3, First page：035147, Last page：8, Jul. 2017, [Reviewed]
  Model-independent compact representations of imaginary-time data are presented in terms of the intermediate representation (IR)of analytical continuation. We demonstrate the efficiency of the IR through continuous-time quantum Monte Carlo calculations of an Anderson impurity model. We find that the IR yields a significantly compact form of various types of correlation functions. This allows the direct quantum Monte Carlo measurement of Green's functions in a compressed form, which considerably reduces the computational cost and memory usage. Furthermore, the present framework will provide general ways to boost the power of cutting- edge diagrammatic/quantum Monte Carlo treatments of many-body systems.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.96.035147
  DOI ID：10.1103/PhysRevB.96.035147, ISSN：2469-9950, eISSN：2469-9969, ORCID：49363921, Web of Science ID：WOS:000406284200003
• Sparse modeling approach to analytical continuation of imaginary-time quantum Monte Carlo data　　　　　　　　　　　　　　　
  Junya Otsuki; Masayuki Ohzeki; Hiroshi Shinaoka; Kazuyoshi Yoshimi
  PHYSICAL REVIEW E, Volume：95, Number：6, First page：061302(R), Last page：6, Jun. 2017, [Reviewed]
  A data-science approach to solving the ill-conditioned inverse problem for analytical continuation is proposed. The root of the problem lies in the fact that even tiny noise of imaginary-time input data has a serious impact on the inferred real-frequency spectra. By means of a modern regularization technique, we eliminate redundant degrees of freedom that essentially carry the noise, leaving only relevant information unaffected by the noise. The resultant spectrum is represented with minimal bases and thus a stable analytical continuation is achieved. This framework further provides a tool for analyzing to what extent the Monte Carlo data need to be accurate to resolve details of an expected spectral function.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevE.95.061302
  DOI ID：10.1103/PhysRevE.95.061302, ISSN：2470-0045, eISSN：2470-0053, ORCID：49363924, Web of Science ID：WOS:000404032100001
• Continuous-time hybridization expansion quantum impurity solver for multi-orbital systems with complex hybridizations　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Emanuel Gull; Philipp Werner
  COMPUTER PHYSICS COMMUNICATIONS, Volume：215, First page：128, Last page：136, Jun. 2017, [Reviewed]
  We describe an open-source implementation of the continuous-time hybridization-expansion quantum Monte Carlo method for impurity models with general instantaneous two-body interactions and complex hybridization functions. The code is built on an updated version of the core libraries of ALPS (Applications and Libraries for Physics Simulations) [ALPSCore libraries].
  Program summary
  Program title: ALPSCore CT-HYB
  Program Files doi: " http://dx.doi.org/10.17632/dyhhx6g4md.1"
  Licensing provisions: GPLv3
  Programming language: C++, MPI for parallelization.
  Nature of problem: Quantum impurity problem
  Solution method: Continuous-time hybridization-expansion quantum Monte Carlo
  External routines/libraries: ALPSCore libraries, Eigen3, Boost. (C) 2017 Published by Elsevier B.V.
  ELSEVIER SCIENCE BV, English, Scientific journal
  DOI：https://doi.org/10.1016/j.cpc.2017.01.003
  DOI ID：10.1016/j.cpc.2017.01.003, ISSN：0010-4655, eISSN：1879-2944, ORCID：49363922, Web of Science ID：WOS:000399851300014
• Updated core libraries of the ALPS project　　　　　　　　　　　　　　　
  A. Gaenko; A. E. Antipov; G. Carcassi; T. Chen; X. Chen; Q. Dong; L. Gamper; J. Gukelberger; R. Igarashi; S. Iskakov; M. Koenz; J. P. F. LeBlanc; R. Levy; P. N. Ma; J. E. Paki; H. Shinaoka; S. Todo; M. Troyer; E. Gull
  COMPUTER PHYSICS COMMUNICATIONS, Volume：213, First page：235, Last page：251, Apr. 2017, [Reviewed]
  The open source ALPS (Algorithms and Libraries for Physics Simulations) project provides a collection of physics libraries and applications, with a focus on simulations of lattice models and strongly correlated systems. The libraries provide a convenient set of well-documented and reusable components for developing condensed matter physics simulation code, and the applications strive to make commonly used and proven computational algorithms available to a non-expert community. In this paper we present an updated and refactored version of the core ALPS libraries geared at the computational physics software development community, rewritten with focus on documentation, ease of installation, and software maintainability.
  Program summary
  Program Title: ALPS Core libraries
  Program Files doi: http://dx.doi.org/10.17632/fckj5d7wtr.1
  Programming language: C++
  Licensing provisions: GNU GPLv3
  Nature of problem: Need for modern, lightweight, tested and documented libraries covering the basic requirements of rapid development of efficient physics simulation codes, especially for modeling strongly correlated electron systems.
  Solution method: We present a C++ open source computational library that provides a convenient set of components for developing parallel physics simulation code. The library features a short development cycle and up-to-date user documentation.
  External routines/libraries: CMake, PIPI, Boost, HDF5. (C) 2016 Elsevier B.V. All rights reserved.
  ELSEVIER SCIENCE BV, English, Scientific journal
  DOI：https://doi.org/10.1016/j.cpc.2016.12.009
  DOI ID：10.1016/j.cpc.2016.12.009, ISSN：0010-4655, eISSN：1879-2944, ORCID：60695430, SCOPUS ID：85009160076, Web of Science ID：WOS:000393630800023
• First-principles study on heavy fermion behavior in LiV2O4　　　　　　　　　　　　　　　
  Shinaoka H.; Nomura Y; Harland M.; Lichtenstein A.I; Biermann S.
  Meeting Abstracts of the Physical Society of Japan, Volume：72.1, First page：2364, Last page：2364, 2017
  スピネル酸化物LiV2O4は、ｄ電子系化合物において、低温で重い電子挙動を示すことが確認されている数少ない物質の一つである。実験・理論の両面からその起源を解明しようとする研究が多数行われてきたにもか買わずコンセンサスは得られていない。本公演では、制限乱雑位相近似法と多軌道DFT+DMFT法を組み合わせた最新の第一原理計算結果を示す。その結果、重い電子挙動はバンド幅インバランスを持つ多軌道系の性質として説明できることを示す。
  The Physical Society of Japan, Japanese
  DOI：https://doi.org/10.11316/jpsgaiyo.72.1.0_2364
  DOI ID：10.11316/jpsgaiyo.72.1.0_2364, eISSN：2189-0803, CiNii Articles ID：130006710164
• Alpscore/Alpscore: Version 1.0.0
  Gaenko Alexander; Antipov Andrey E; Carcassi Gabriele; Gamper Lukas; Chen Tianran; Chen Xi; Dong Qiaoyuan; Gukelberger Jan; Igarashi Ryo; Iskakov Sergey; K?nz Mario; LeBlanc James PF; Levy Ryan; Ma Tama; Paki Joe; Shinaoka Hiroshi; Todo Synge; Troyer Matthias; Gull Emanuel
  Zenodo, 2017, [Reviewed]
  DOI：https://doi.org/10.5281/zenodo.291808
  DOI ID：10.5281/zenodo.291808, ORCID：47011391
• Spin-freezing perspective on cuprates　　　　　　　　　　　　　　　
  Philipp Werner; Shintaro Hoshino; Hiroshi Shinaoka
  PHYSICAL REVIEW B, Volume：94, Number：24, First page：245134, Dec. 2016, [Reviewed]
  The high-temperature superconducting state in cuprates appears if charge carriers are doped into a Mott-insulating parent compound. An unresolved puzzle is the unconventional nature of the normal state above the superconducting dome and its connection to the superconducting instability. At weak hole doping, a "pseudogap" metal state with signatures of time-reversal symmetry breaking is observed, which near-optimal doping changes into a "strange metal" with non-Fermi-liquid properties. Qualitatively similar phase diagrams are found in multiorbital systems, such as pnictides, where the unconventional metal states arise from a Hund-coupling-induced spin freezing. Here, we show that the relevant model for cuprates, the single-orbital Hubbard model on the square lattice, can be mapped onto an effective multiorbital problem with strong ferromagnetic Hund coupling. The spin-freezing physics of this multiorbital system explains the phenomenology of cuprates, including the pseudogap, the strange metal, and the d-wave superconducting instability. Our analysis suggests that spin/orbital freezing is the universal mechanism which controls the properties of unconventional superconductors.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.94.245134
  DOI ID：10.1103/PhysRevB.94.245134, ISSN：2469-9950, eISSN：2469-9969, ORCID：49363925, Web of Science ID：WOS:000391012400007
• 21pBN-1 First-principles study on strong correlation effects in pyrochlore iridates　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Hoshino Shintaro; Troyer Matthias; Werner Philipp
  Meeting Abstracts of the Physical Society of Japan, Volume：71, First page：2311, Last page：2311, 2016
  The Physical Society of Japan (JPS), Japanese
  DOI：https://doi.org/10.11316/jpsgaiyo.71.1.0_2311
  DOI ID：10.11316/jpsgaiyo.71.1.0_2311, ISSN：2189-079X, CiNii Articles ID：110010058258, CiNii Books ID：AA12721570
• First-principles study on 5d4 pyrochlore Y2Os2O7　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Yamaji Yohei
  Meeting Abstracts of the Physical Society of Japan, Volume：71, First page：2022, Last page：2022, 2016
  

  近年、5d4の電子配置を持つパイロクロア酸化物Y2Os2O7の物性に関する実験報告が初めてなされた。5d4の電子配置では、jeff=2/3軌道が全て埋まったバンド絶縁体が基底状態として期待されるが、実験的には室温からキュリーワイス則を示し、低温でスピングラス転移を示す。本発表では、LDA+DMFT法を用いて、非自明な基底状態の起源を議論する。

  
  The Physical Society of Japan, Japanese
  DOI：https://doi.org/10.11316/jpsgaiyo.71.2.0_2022
  DOI ID：10.11316/jpsgaiyo.71.2.0_2022, CiNii Articles ID：130006244696
• Cluster dynamical mean-field study of jeff=1/2 model on pyrochlore lattice　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Nomura Yusuke
  Meeting Abstracts of the Physical Society of Japan, Volume：71, First page：1975, Last page：1975, 2016
  

  パイロクロアイリジウム酸化物の相図が実験、理論の両面から盛んに研究されている。特に、ワイル半金属相がall-in/all-out磁気秩序相の近傍に存在する可能性が理論的に指摘されているが、実験的な検証は途上である。本研究では、本物質系の電子状態を表現する最小の模型であるjeff=1/2模型の有限温度相図をクラスター型動的平均場近似を用いて調べる。特にワイル半金属の安定性を調べる。

  
  The Physical Society of Japan, Japanese
  DOI：https://doi.org/10.11316/jpsgaiyo.71.2.0_1975
  DOI ID：10.11316/jpsgaiyo.71.2.0_1975, CiNii Articles ID：130006244672
• Fidelity Susceptibility Perspective on the Kondo Effect and Impurity Quantum Phase Transitions　　　　　　　　　　　　　　　
  Lei Wang; Hiroshi Shinaoka; Matthias Troyer
  PHYSICAL REVIEW LETTERS, Volume：115, Number：23, First page：236601, Last page：6, Dec. 2015, [Reviewed]
  The Kondo effect is a ubiquitous phenomenon appearing at low temperature in quantum confined systems coupled to a continuous bath. Efforts in understanding and controlling it have triggered important developments across several disciplines of condensed matter physics. A recurring pattern in these studies is that the suppression of the Kondo effect often results in intriguing physical phenomena such as impurity quantum phase transitions or non-Fermi-liquid behavior. We show that the fidelity susceptibility is a sensitive indicator for such phenomena because it quantifies the sensitivity of the system's state with respect to its coupling to the bath. We demonstrate the power of the fidelity susceptibility approach by using it to identify the crossover and quantum phase transitions in the one and two impurity Anderson models. The feasibility of measuring fidelity susceptibility in condensed matter as well as ultracold quantum gases experiments opens exciting new routes to diagnose the Kondo problem and impurity quantum phase transitions.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevLett.115.236601
  DOI ID：10.1103/PhysRevLett.115.236601, ISSN：0031-9007, eISSN：1079-7114, ORCID：49363929, Web of Science ID：WOS:000365877700010
• Negative sign problem in continuous-time quantum Monte Carlo: Optimal choice of single-particle basis for impurity problems　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Yusuke Nomura; Silke Biermann; Matthias Troyer; Philipp Werner
  PHYSICAL REVIEW B, Volume：92, Number：19, First page：195126, Last page：14, Nov. 2015, [Reviewed]
  The negative sign problem in quantum Monte Carlo (QMC) simulations of cluster impurity problems is the major bottleneck in cluster dynamical mean-field calculations. In this paper, we systematically investigate the dependence of the sign problem on the single-particle basis. We explore both the hybridization-expansion and interaction-expansion variants of continuous-time QMC simulations for three-site and four-site impurity models with baths that are diagonal in the orbital degrees of freedom. We find that the sign problem in these models can be substantially reduced by using a nontrivial single-particle basis. Such bases can be generated by diagonalizing a subset of the intracluster hoppings.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.92.195126
  DOI ID：10.1103/PhysRevB.92.195126, ISSN：1098-0121, eISSN：1550-235X, ORCID：49363930, Web of Science ID：WOS:000368095400002
• Charge-spin-orbital fluctuations in mixed valence spinels: Comparative study of AlV2O4 and LiV2O4　　　　　　　　　　　　　　　
  Amane Uehara; Hiroshi Shinaoka; Yukitoshi Motome
  PHYSICAL REVIEW B, Volume：92, Number：19, First page：195150, Last page：7, Nov. 2015, [Reviewed]
  Mixed valence spinels provide a fertile playground for the interplay between charge, spin, and orbital degrees of freedom in strongly correlated electrons on a geometrically frustrated lattice. Among them, AlV2O4 and LiV2O4 exhibit contrasting and puzzling behavior: self-organization of seven-site clusters and heavy fermion behavior. We theoretically perform a comparative study of charge-spin-orbital fluctuations in these two compounds, on the basis of the multiband Hubbard models constructed by using the maximally localizedWannier functions obtained from the ab initio band calculations. Performing the eigenmode analysis of the generalized susceptibility, we find that, in AlV2O4, the relevant fluctuation appears in the charge sector in sigma-bonding type orbitals. In contrast, in LiV2O4, optical-type spin fluctuations in the alpha(1g) orbital are enhanced at an incommensurate wave number at low temperature. Implications from the comparative study are discussed for the contrasting behavior, including the metal-insulator transition under pressure in LiV2O4.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.92.195150
  DOI ID：10.1103/PhysRevB.92.195150, ISSN：1098-0121, eISSN：1550-235X, ORCID：49363928, Web of Science ID：WOS:000365773300001
• Phase Diagram of Pyrochlore Iridates: All-in-All-out Magnetic Ordering and Non-Fermi-Liquid Properties　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Shintaro Hoshino; Matthias Troyer; Philipp Werner
  PHYSICAL REVIEW LETTERS, Volume：115, Number：15, First page：156401, Last page：5, Oct. 2015, [Reviewed]
  We study the prototype 5d pyrochlore iridate Y2Ir2O7 from first principles using the local density approximation and dynamical mean-field theory (LDA + DMFT). We map out the phase diagram in the space of temperature, on-site Coulomb repulsion U, and filling. Consistent with experiments, we find that an all-in-all-out ordered insulating phase is stable for realistic values of U. The trigonal crystal field enhances the hybridization between the j(eff) = 1/2 and j(eff) = 3/2 states, and strong interband correlations are induced by the Coulomb interaction, which indicates that a three-band description is important. We demonstrate a substantial band narrowing in the paramagnetic metallic phase and non-Fermi-liquid behavior in the electron- or hole-doped system originating from long-lived quasi-spin-moments induced by nearly flat bands.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevLett.115.156401
  DOI ID：10.1103/PhysRevLett.115.156401, ISSN：0031-9007, eISSN：1079-7114, ORCID：49363931, Web of Science ID：WOS:000362337400010
• Accuracy of downfolding based on the constrained random-phase approximation　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Matthias Troyer; Philipp Werner
  PHYSICAL REVIEW B, Volume：91, Number：24, First page：245156, Last page：12, Jun. 2015, [Reviewed]
  We study the reliability of the constrained random-phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multiorbital lattice models with one strongly correlated "target" band and two weakly correlated "screening" bands. The full multiorbital system and the effective model are solved within dynamical mean-field theory (DMFT) in a consistent way. By comparing the quasiparticle weights for the correlated bands, we examine how accurately the effective model describes the low-energy properties of the multiband system. We show that the violation of the Pauli principle in the cRPA method leads to overscreening effects when the interorbital interaction is small. This problem can be overcome by using a variant of the cRPA method which restores the Pauli principle.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.91.245156
  DOI ID：10.1103/PhysRevB.91.245156, ISSN：1098-0121, eISSN：1550-235X, ORCID：49363926, Web of Science ID：WOS:000357025800004
• Spin-orbital frustration in molybdenum pyrochlores A(2)Mo(2)O(7) (A = rare earth) (vol 88, 174422, 2013)　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Yukitoshi Motome; Takashi Miyake; Shoji Ishibashi
  PHYSICAL REVIEW B, Volume：91, Number：21, Jun. 2015, [Reviewed]
  AMER PHYSICAL SOC, English
  DOI：https://doi.org/10.1103/PhysRevB.91.219906
  DOI ID：10.1103/PhysRevB.91.219906, ISSN：1098-0121, eISSN：1550-235X, Web of Science ID：WOS:000356926800003
• Effect of magnetoelastic coupling on spin-glass behavior in Heisenberg pyrochlore antiferromagnets with bond disorder (vol 90, 165119, 2014)　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Yusuke Tomita; Yukitoshi Motome
  PHYSICAL REVIEW B, Volume：91, Number：19, May 2015, [Reviewed]
  AMER PHYSICAL SOC, English
  DOI：https://doi.org/10.1103/PhysRevB.91.199902
  DOI ID：10.1103/PhysRevB.91.199902, ISSN：1098-0121, eISSN：1550-235X, Web of Science ID：WOS:000353878700004
• Analysis of Charge-spin-orbital Fluctuations by Ab Initio Calculation and Random Phase Approximation: Application to Non-coplanar Antiferromagnet Cd2Os2O7　　　　　　　　　　　　　　　
  Amane Uehara; Hiroshi Shinaoka; Yukitoshi Motome
  20TH INTERNATIONAL CONFERENCE ON MAGNETISM, ICM 2015, Volume：75, First page：495, Last page：502, 2015, [Reviewed]
  We present a systematic analysis on the basis of ab initio calculations and many-body perturbation theory for clarifying the dominant fluctuation in complex charge-spin-orbital coupled systems. For a tight-binding multiband model obtained from the maximally-localized Wannier function analysis of the band structure by the local density approximation, we take into account electron correlations at the level of random phase approximation. To identify the dominant fluctuation, we carry out the eigenmode analysis of the generalized susceptibility that includes all the multiple degrees of freedom: charge, spin, and orbital. We apply this method to the paramagnetic metallic phase of a pyrochlore oxide Cd2Os2O7, which shows a metalinsulator transition accompanied by a peculiar noncoplanar antiferromagnetic order of all-in all-out type. We find that the corresponding spin fluctuation is dominantly enhanced by the on-site Coulomb repulsions in the presence of strong spin-orbit coupling and trigonal crystal field splitting. Our results indicate that the combined method offers an effective tool for the systematic analysis of potential instabilities in strongly correlated electron materials.
  ELSEVIER SCIENCE BV, English, International conference proceedings
  DOI：https://doi.org/10.1016/j.phpro.2015.12.062
  DOI ID：10.1016/j.phpro.2015.12.062, ISSN：1875-3892, ORCID：49363927, Web of Science ID：WOS:000381129300070
• 23pBF-7 RPA analysis of the generalized susceptibility for charge-spin-orbital fluctuations in mixed-valence spinels　　　　　　　　　　　　　　　
  UEHARA Amane; SHINAOKA Hiroshi; MOTOME Yukitoshi
  Meeting Abstracts of the Physical Society of Japan, Volume：70, First page：2333, Last page：2333, 2015
  The Physical Society of Japan (JPS), Japanese
  DOI：https://doi.org/10.11316/jpsgaiyo.70.1.0_2333
  DOI ID：10.11316/jpsgaiyo.70.1.0_2333, ISSN：2189-079X, CiNii Articles ID：110009990301, CiNii Books ID：AA12721570
• Effect of magnetoelastic coupling on spin-glass behavior in Heisenberg pyrochlore antiferromagnets with bond disorder　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Yusuke Tomita; Yukitoshi Motome
  PHYSICAL REVIEW B, Volume：90, Number：16, First page：165119, Oct. 2014, [Reviewed]
  Motivated by puzzling aspects of spin-glass behavior reported in frustrated magnetic materials, we theoretically investigate effects of magnetoelastic coupling in geometrically frustrated classical spin models. In particular, we consider bond-disordered Heisenberg antiferromagnets on a pyrochlore lattice coupled to local lattice distortions. By integrating out the lattice degree of freedom, we derive an effective spin-only model, the bilinear-biquadratic model with bond disorder. The effective model is analyzed by classical Monte Carlo simulations using an extended loop algorithm. First, we discuss the phase diagrams in detail by showing the comprehensive Monte Carlo data for thermodynamic and magnetic properties. We show that the spin-glass transition temperature T-f is largely enhanced by the spin-lattice coupling b in the weakly disordered regime. By considering the limit of strong spin-lattice coupling, this enhancement is ascribed to the suppression of thermal fluctuations in semidiscrete degenerate manifold formed in the presence of the spin-lattice coupling. We also find that, by increasing the strength of disorder Delta, the system shows a concomitant transition of the nematic order and spin glass at a temperature determined by b, being almost independent of Delta. This is due to the fact that the spin-glass transition is triggered by the spin collinearity developed by the nematic order. Although further-neighbor exchange interactions originating in the cooperative lattice distortions result in spin-lattice order in the weakly disordered regime, the concomitant transition remains robust with T-f almost independent of Delta. We find that the magnetic susceptibility shows hysteresis between the field-cooled and zero-field-cooled data below T-f, and that the nonlinear susceptibility shows a negative divergence at the transition. These features are common to conventional spin-glass systems. Meanwhile, we find that the specific heat exhibits a broad peak at T-f, and that the Curie-Weiss temperature varies with Delta, even in the region where T-f is insensitive to Delta. In addition, we clarified that the concomitant transition remains robust against a substantial external magnetic field. These features are in clear contrast to the conventional spin-glass behavior. Furthermore, we show that the cubic susceptibility obeys a Curie-Weiss-type law and the estimated "Curie-Weiss" temperature gives a good measure of the spin-lattice coupling even in the presence of bond randomness. We also show, by studying single-spin-flip dynamics in the nematic phase, that the glassy spin dynamics may be observed at a rather high temperature in a realistic situation for weak disorder. All these results are discussed in comparison with experiments for typical pyrochlore magnets, such as Y2Mo2O7 and ZnCr2O4.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.90.165119
  DOI ID：10.1103/PhysRevB.90.165119, ISSN：1098-0121, eISSN：1550-235X, ORCID：49363932, Web of Science ID：WOS:000344031400001
• Hybridization expansion Monte Carlo simulation of multi-orbital quantum impurity problems: matrix product formalism and improved sampling　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Michele Dolfi; Matthias Troyer; Philipp Werner
  JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT, Volume：2014, Number：6, First page：P06012, Jun. 2014, [Reviewed]
  We explore two complementary modifications of the hybridization-expansion continuous-time Monte Carlo method, aiming at large multi-orbital quantum impurity problems. One idea is to compute the imaginary-time propagation using a matrix product state representation. We show that bond dimensions considerably smaller than the dimension of the Hilbert space are sufficient to obtain accurate results and that this approach scales polynomially, rather than exponentially with the number of orbitals. Based on scaling analyses, we conclude that a matrix product state implementation will outperform the exact-diagonalization based method for quantum impurity problems with more than 12 orbitals. The second idea is an improved Monte Carlo sampling scheme which is applicable to all variants of the hybridization expansion method. We show that this so-called sliding window sampling scheme speeds up the simulation by at least an order of magnitude for a broad range of model parameters, with the largest improvements at low temperature.
  IOP PUBLISHING LTD, English, Scientific journal
  DOI：https://doi.org/10.1088/1742-5468/2014/06/P06012
  DOI ID：10.1088/1742-5468/2014/06/P06012, ISSN：1742-5468, ORCID：49363933, Web of Science ID：WOS:000338858700013
• Spin-orbital frustration in molybdenum pyrochlores A(2)Mo(2)O(7) (A = rare earth)　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Yukitoshi Motome; Takashi Miyake; Shoji Ishibashi
  PHYSICAL REVIEW B, Volume：88, Number：17, First page：174422, Nov. 2013, [Reviewed]
  Electronic and magnetic properties of molybdenum pyrochlores A(2)Mo(2)O(7) are studied by the fully relativistic density-functional theory plus on-site repulsion (U) method, with a focus on the spin-glass insulating material Y2Mo2O7. We find that the system exhibits peculiar competition in energy between different magnetic states in the large-U insulating region. The magnetic competition cannot be explained by the conventional picture based on the geometrical frustration of isotropic Heisenberg antiferromagnetic exchange interactions. Through an analysis by using a generalized spin model, we find that the effective spin interactions are distinct from the simple Heisenberg form and strongly anisotropic in spin space. We also reveal that they give rise to keen competition between antiferromagnetic and ferromagnetic states. The complex form of the magnetic interactions indicates a crucial role of the orbital degree of freedom. Analyzing a three-orbital Hubbard model, we clarify that the magnetic competition is tightly connected with orbital frustration in the 4d(2) electronic configuration through the spin-orbital interplay. The results challenge the conventional picture of the spin-glass behavior that attributes the origin to the geometrical frustration of purely antiferromagnetic exchange interactions.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.88.174422
  DOI ID：10.1103/PhysRevB.88.174422, ISSN：1098-0121, eISSN：1550-235X, ORCID：49363934, Web of Science ID：WOS:000327383900002
• Noncollinear Magnetism and Spin-Orbit Coupling in 5d Pyrochlore Oxide Cd2Os2O7　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Takashi Miyake; Shoji Ishibashi
  PHYSICAL REVIEW LETTERS, Volume：108, Number：24, First page：247204, Jun. 2012, [Reviewed]
  We investigate the electronic and magnetic properties of the pyrochlore oxide Cd2Os2O7 using the density-functional theory plus on-site repulsion (U) method, and depict the ground-state phase diagram with respect to U. We conclude that the all-in-all-out noncollinear magnetic order is stable in a wide range of U. We also show that the easy-axis anisotropy arising from the spin-orbit coupling plays a significant role in stabilizing the all-in-all-out magnetic order. A pseudogap was observed near the transition between the antiferromagnetic metallic and insulating phases. Finally, we discuss possible origins of the peculiar low-temperature(T) properties observed in experiments.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevLett.108.247204
  DOI ID：10.1103/PhysRevLett.108.247204, ISSN：0031-9007, ORCID：49363937, Web of Science ID：WOS:000305257900016
• Critical property of spin-glass transition in a bond-disordered classical antiferromagnetic Heisenberg model with a biquadratic interaction　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Yusuke Tomita; Yukitoshi Motome
  26TH INTERNATIONAL CONFERENCE ON LOW TEMPERATURE PHYSICS (LT26), PTS 1-5, Volume：400, Number：3, First page：032087, 2012, [Reviewed]
  Motivated by puzzling spin-glass behaviors observed in many pyrochlore-based magnets, effects of magnetoelastic coupling to local lattice distortions were recently studied by the authors for a bond-disordered antiferromagnet on a pyrochlore lattice [arXiv:1010.5625v2]. Here, we extend the analyses with focusing on the critical property of the spin-glass transition which occurs concomitantly with a nematic transition. Finite-size scaling analyses are performed up to a larger system size with 8192 spins to estimate the transition temperature and critical exponents. The exponents are compared with those in the absence of the magnetoelastic coupling and with those for the canonical spin-glass systems. We also discuss the temperature dependence of the specific heat in comparison with that in canonical spin-glass systems as well as an experimental result.
  IOP PUBLISHING LTD, English, International conference proceedings
  DOI：https://doi.org/10.1088/1742-6596/400/3/032087
  DOI ID：10.1088/1742-6596/400/3/032087, ISSN：1742-6588, ORCID：49363935, Web of Science ID：WOS:000314977100321
• Mott Transition and Phase Diagram of $κ$-(BEDT-TTF)2Cu(NCS)2 Studied by Two-Dimensional Model Derived from Ab initio Method　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Takahiro Misawa; Kazuma Nakamura; Masatoshi Imada
  Journal of the Physical Society of Japan, Volume：81, Number：3, First page：034701, Oct. 2011, [Reviewed]
  We present an ab initio analysis for the ground-state properties of a
  correlated organic compound $\kappa$-(BEDT-TTF)2Cu(NCS)2. First, we derive an
  effective two-dimensional low-energy model from first principles, having
  short-ranged transfers and short-ranged Coulomb and exchange interactions.
  Then, we perform many-variable variational Monte Carlo calculations for this
  model and draw a ground-state phase diagram as functions of scaling parameters
  for the onsite and off-site interactions. The phase diagram consists of three
  phases; a paramagnetic metallic phase, an antiferromagnetic (Mott) insulating
  phase, and a charge-ordered insulating phase. In the phase diagram, the
  parameters for the real compound are close to the first-order Mott transition,
  being consistent with experiments. We show that the off-site Coulomb and
  exchange interactions affect the phase boundary; (i) they appreciably stabilize
  the metallic state against the Mott insulating phase and (ii) enhance charge
  fluctuations in a wide parameter region in the metallic phase.
  We observe arc-like structure in Fermi surface around the region where the
  charge fluctuations are enhanced. Possible relevance of the charge fluctuations
  to the experimentally observed dielectric anomaly in the $\kappa$-BEDT-TTF
  family compounds is also pointed out.
  DOI：https://doi.org/10.1143/JPSJ.81.034701
  DOI ID：10.1143/JPSJ.81.034701, ORCID：49363936, arXiv ID：arXiv:1110.6299, Web of Science ID：WOS:000300985400023
• Spin-Glass Transition in Bond-Disordered Heisenberg Antiferromagnets Coupled with Local Lattice Distortions on a Pyrochlore Lattice　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Yusuke Tomita; Yukitoshi Motome
  PHYSICAL REVIEW LETTERS, Volume：107, Number：4, First page：047204, Jul. 2011, [Reviewed]
  Motivated by puzzling characteristics of spin-glass transitions widely observed in pyrochlore-based frustrated materials, we investigate the effects of coupling to local lattice distortions in a bond-disordered antiferromagnet on the pyrochlore lattice by extensive Monte Carlo simulations. We show that the spin-glass transition temperature T-f is largely enhanced by the spin-lattice coupling and, furthermore, becomes almost independent of Delta in a wide range of the disorder strength Delta. The critical property of the spin-glass transition is indistinguishable from that of the canonical Heisenberg spin glass in the entire range of Delta. These peculiar behaviors are ascribed to a modification of the degenerate manifold from a continuous to semidiscrete one by spin-lattice coupling.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevLett.107.047204
  DOI ID：10.1103/PhysRevLett.107.047204, ISSN：0031-9007, eISSN：1079-7114, ORCID：49363939, Web of Science ID：WOS:000292922100014
• Loop algorithm for classical antiferromagnetic Heisenberg models with biquadratic interactions　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Yusuke Tomita; Yukitoshi Motome
  INTERNATIONAL CONFERENCE ON FRUSTRATION IN CONDENSED MATTER (ICFCM), Volume：320, Number：1, First page：012009, 2011, [Reviewed]
  Monte Carlo simulation using the standard single-spin flip algorithm often fails to sample over the entire configuration space at low temperatures for frustrated spin systems. A typical example is a class of spin-ice type I sing models. In this case, the difficulty can be avoided by introducing a global-flip algorithm, the loop algorithm. Similar difficulty is encountered in O(3) Heisenberg models in the presence of biquadratic interaction. The loop algorithm, however, is not straight forwardly applied to this case, since the system does not have a priori spin-anisotropy axis for constructing the loops. We propose an extension of the loop algorithm to the bilinear-biquadratic models. The efficiency is tested for three different ways to flip spins on a loop in Monte Carlo simulation. We show that the most efficient method depends on the strength of the biquadratic interaction.
  IOP PUBLISHING LTD, English, International conference proceedings
  DOI：https://doi.org/10.1088/1742-6596/320/1/012009
  DOI ID：10.1088/1742-6596/320/1/012009, ISSN：1742-6588, ORCID：49363938, Web of Science ID：WOS:000299350600009
• Loop algorithm for classical Heisenberg models with spin-ice type degeneracy　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Yukitoshi Motome
  PHYSICAL REVIEW B, Volume：82, Number：13, First page：134420, Oct. 2010, [Reviewed]
  In many frustrated Ising models, a single-spin flip dynamics is frozen out at low temperatures compared to the dominant interaction energy scale because of the discrete "multiple valley" structure of degenerate ground-state manifold. This makes it difficult to study low-temperature physics of these frustrated systems by using Monte Carlo simulation with the standard single-spin flip algorithm. A typical example is the so-called spin-ice model, frustrated ferromagnets on the pyrochlore lattice. The difficulty can be avoided by a global-flip algorithm, the loop algorithm, that enables to sample over the entire discrete manifold and to investigate low-temperature properties. We extend the loop algorithm to Heisenberg spin systems with strong easy-axis anisotropy in which the ground-state manifold is continuous but still retains the spin-ice type degeneracy. We examine different ways of loop flips and compare their efficiency. The extended loop algorithm is applied to two models, a Heisenberg antiferromagnet with easy-axis anisotropy along the z axis, and a Heisenberg spin-ice model with the local < 111 > easy-axis anisotropy. For both models, we demonstrate high efficiency of our loop algorithm by revealing the low-temperature properties which were hard to access by the standard single-spin flip algorithm. For the former model, we examine the possibility of order from disorder and critically check its absence. For the latter model, we elucidate a gas-liquid-solid transition, namely, crossover or phase transition among paramagnet, spin-ice liquid, and ferromagnetically ordered ice-rule state.
  AMER PHYSICAL SOC, English, Scientific journal
  DOI：https://doi.org/10.1103/PhysRevB.82.134420
  DOI ID：10.1103/PhysRevB.82.134420, ISSN：1098-0121, ORCID：49363941, Web of Science ID：WOS:000282809000004
• Theory of Electron Transport near Anderson-Mott Transitions　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Masatoshi Imada
  Journal of the Physical Society of Japan, Volume：79, Number：11, First page：113703, Aug. 2010, [Reviewed]
  We present a theory of the DC electron transport in insulators near
  Anderson-Mott transitions under the influence of coexisting electron
  correlation and randomness. At sufficiently low temperatures, the DC electron
  transport in Anderson-Mott insulators is determined by the single-particle
  density of states (DOS) near the Fermi energy. Anderson insulators, caused by
  randomness, are characterized by a nonzero DOS at the Fermi energy. However,
  recently, the authors proposed that coexisting randomness and short-ranged
  interaction in insulators open a soft Hubbard gap in the DOS, and the DOS
  vanishes only at the Fermi energy. Based on the picture of the soft Hubbard
  gap, we derive a formula for the critical behavior for the temperature
  dependence of the DC resistivity. Comparisons of the present theory with
  experimental results of electrostatic carrier doping into an organic conductor
  kappa-(BEDT-TTF)_2Cu[N(CN)_2]Br demonstrate the evidence for the present
  soft-Hubbard scaling.
  DOI：https://doi.org/10.1143/JPSJ.79.113703
  DOI ID：10.1143/JPSJ.79.113703, ORCID：49363942, arXiv ID：arXiv:1008.3754, Web of Science ID：WOS:000283514600005
• Electronic and magnetic properties of metallic phases under coexisting short-range interaction and diagonal disorder　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Masatoshi Imada
  Journal of the Physical Society of Japan, Volume：79, Number：9, First page：094711, Jun. 2009, [Reviewed]
  We study a three-dimensional Anderson-Hubbard model under the coexistence of
  short-range interaction and diagonal disorder within the Hartree-Fock
  approximation. We show that the density of states at the Fermi energy is
  suppressed in the metallic phases near the metal-insulator transition as a
  proximity effect of the soft Hubbard gap in the insulating phases. The
  transition to the insulator is characterized by a vanishing DOS in contrast to
  formation of a quasiparticle peak at the Fermi energy obtained by the dynamical
  mean field theory in pure systems. Furthermore, we show that there exist frozen
  spin moments in the paramagnetic metal.
  DOI：https://doi.org/10.1143/JPSJ.79.094711
  DOI ID：10.1143/JPSJ.79.094711, ORCID：49363940, arXiv ID：arXiv:0906.4386, Web of Science ID：WOS:000282017200032
• Single-particle excitations under coexisting electron correlation and disorder: a numerical study of the Anderson-Hubbard model　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Masatoshi Imada
  Journal of the Physical Society of Japan, Volume：78, Number：9, First page：094708, May 2009, [Reviewed]
  Interplay of electron correlation and randomness is studied by using the
  Anderson-Hubbard model within the Hartree-Fock approximation. Under the
  coexistence of short-range interaction and diagonal disorder, we obtain the
  ground-state phase diagram in three dimensions, which includes an
  antiferromagnetic insulator, an antiferromagnetic metal, a paramagnetic
  insulator (Anderson-localized insulator) and a paramagnetic metal. Although
  only the short-range interaction is present in this model, we find
  unconventional soft gaps in the insulating phases irrespective of electron
  filling, spatial dimensions and long-range order, where the single-particle
  density of states (DOS) vanishes with a power-law scaling in one dimension (1D)
  or even faster in two dimensions (2D) and three dimensions (3D) toward the
  Fermi energy. We call it soft Hubbard gap. Moreover, exact-diagonalization
  results in 1D support the formation of the soft Hubbard gap beyond the
  mean-field level. The formation of the soft Hubbard gap cannot be attributed to
  a conventional theory by Efros and Shklovskii (ES) owing the emergence of soft
  gaps to the long-range Coulomb interaction. Indeed, based on a picture of
  multivalley energy landscape, we propose a phenomenological scaling theory,
  which predicts a scaling of the DOS in perfect agreement with the numerical
  results. We further discuss a correction of the scaling of the DOS by the
  long-range part of the Coulomb interaction, which modifies the scaling of Efros
  and Shklovskii. Furthermore, explicit formulae for the temperature dependence
  of the DC resistivity via variable-range hopping under the influence of the
  soft gaps are derived. Finally, we compare the present theory with experimental
  results of SrRu_{1-x}Ti_xO_3.
  DOI：https://doi.org/10.1143/JPSJ.78.094708
  DOI ID：10.1143/JPSJ.78.094708, ORCID：49363943, arXiv ID：arXiv:0905.3248, Web of Science ID：WOS:000270068100035
• Soft Hubbard gaps in disordered itinerant models with short-range interaction　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Masatoshi Imada
  Physical Review Letters, Volume：102, Number：1, First page：016404, Nov. 2008, [Reviewed]
  We study the Anderson-Hubbard model in the Hartree-Fock approximation and the
  exact diagonalization under the coexistence of short-range interaction and
  diagonal disorder. We show that there exist unconventional soft gaps, where the
  single-particle (SP) density of states (DOS) $A$ follows a scaling in energy
  $E$ as $A(E)\propto \exp[-(-\gamma\log |E-E_F|)^d]$ irrespective of electron
  filling and long-range order. Here, $d$ is the spatial dimension, $E_F$ the
  Fermi energy and $\gamma$ a non-universal constant. We propose a multi-valley
  energy landscape as their origin. Possible experiments to verify the present
  theory are proposed.
  DOI：https://doi.org/10.1103/PhysRevLett.102.016404
  DOI ID：10.1103/PhysRevLett.102.016404, ORCID：49363944, arXiv ID：arXiv:0811.2492, Web of Science ID：WOS:000262355000051
• Ill-Contact Effects of d-Orbital Channels in Nanometer-Scale Conductor　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Takeo Hoshi; Takeo Fujiwara
  JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, Volume：77, Number：11, First page：114712, Nov. 2008, [Reviewed]
  Electronic current in a nanometer-size rod is theoretically investigated by an eigen-channel decomposition method in nonequilibrium Green's function formalism. Physical properties, such as the local density of electrons and local current, are decomposed into contributions of eigen-channels. We observe that the evanescent modes and nonlinear conductance are enhanced in d-orbital systems, and the structure of the transmission function, local current density, and penetration depth are discussed. The two effects of the ill-contact at electrodes in d-orbital systems, evanescent modes and the nonlinearity of conductance, are regarded as originating in the peak structure of the transmission function of eigen-channels in the energy region between chemical potentials of left and right lead wires.
  PHYSICAL SOC JAPAN, English, Scientific journal
  DOI：https://doi.org/10.1143/JPSJ.77.114712
  DOI ID：10.1143/JPSJ.77.114712, ISSN：0031-9015, ORCID：49363945, Web of Science ID：WOS:000261042000051
• Bending experiment on pentacene field-effect transistors on plastic films　　　　　　　　　　　　　　　
  T Sekitani; Y Kato; S Iba; H Shinaoka; T Someya; T Sakurai; S Takagi
  APPLIED PHYSICS LETTERS, Volume：86, Number：7, First page：073511, Feb. 2005, [Reviewed]
  We have fabricated very flexible pentacene field-effect transistors with polyimide gate dielectric layers on plastic films with a mobility of 0.3 cm(2)/V s and an on/off ratio of 10(5), and have measured their electrical properties under various compressive and tensile strains while changing the bending radius of the base plastic films systematically. We have found that the change in source-drain current with bending radius is reproducible and reversible when the bending radius is above 4.6 mm, which corresponds to strains of similar to1.4 +/- 0.1%. Furthermore, the change in source-drain current does not depend on the direction of strain versus direction of current flow. (C) 2005 American Institute of Physics.
  AMER INST PHYSICS, English, Scientific journal
  DOI：https://doi.org/10.1063/1.1868868
  DOI ID：10.1063/1.1868868, ISSN：0003-6951, ORCID：49363946, Web of Science ID：WOS:000227439400103

• Cd₂Re₂O₇の第一原理有効模型の構築と解析　　　　　　　　　　　　　　　
  近野直也; 野村悠祐; 吉見一慶; 大槻純也; 品岡寛
  Volume：74, Number：1, 2019
  ISSN：2189-079X, J-Global ID：201902284732592178
• Updated Core Libraries of the ALPS Project
  Markus Wallerberger; Sergei Iskakov; Alexander Gaenko; Joseph Kleinhenz; Igor Krivenko; Ryan Levy; Jia Li; Hiroshi Shinaoka; Synge Todo; Tianran Chen; Xi Chen; James P. F. LeBlanc; Joseph E. Paki; Hanna Terletska; Matthias Troyer; Emanuel Gull
  20 Nov. 2018
  The open source ALPS (Algorithms and Libraries for Physics Simulations)
  
  project provides a collection of physics libraries and applications, with a
  
  focus on simulations of lattice models and strongly correlated electron
  
  systems. The libraries provide a convenient set of well-documented and reusable
  
  components for developing condensed matter physics simulation codes, and the
  
  applications strive to make commonly used and proven computational algorithms
  
  available to a non-expert community. In this paper we present an update of the
  
  core ALPS libraries. We present in particular new Monte Carlo libraries and new
  
  Green's function libraries.
  Technical report
  arXiv ID：arXiv:1811.08331
• 最大エントロピー法でいいの？―スパースモデリングの量子多体論への応用―　　　　　　　　　　　　　　　
  大槻純也; 大関真之; 品岡寛; 吉見 一慶
  Volume：53, Number：4, First page：173, Last page：188, Apr. 2018
  Japanese, Introduction scientific journal
• 第一原理計算によるLiV2O4における重い電子挙動の起源の解明　　　　　　　　　　　　　　　
  品岡寛; 野村悠祐; HARLAND Malte; LICHTENSTEIN Alexander I.; BIERMANN Silke
  Volume：72, Number：1, 2017
  ISSN：2189-079X, J-Global ID：201702279263755097
• Spiral order from orientationally correlated random bonds in classical XY models
  Andrea Scaramucci; Hiroshi Shinaoka; Maxim V. Mostovoy; Markus Müller; Christopher Mudry
  04 Oct. 2016
  We discuss the stability of ferromagnetic long-range order in
  
  three-dimensional classical XY ferromagnets upon substitution of a small subset
  
  of equally oriented bonds by impurity bonds, on which the ferromagnetic
  
  exchange J$_{\perp}$> 0 is replaced by a strong antiferromagnetic coupling
  
  J$_{\mathrm{imp } }$ < 0. In the presence of a single impurity bond, once the
  
  absolute value of the frustrating coupling J$_{\mathrm{imp } }$ < 0 exceeds a
  
  threshold J$_{c}$ > 0, the ground state becomes two-fold degenerate,
  
  corresponding to either clockwise or anticlockwise canting of the spins in the
  
  vicinity of the impurity bond. In the presence of a small concentration of
  
  impurity bonds, the effective low-energy Hamiltonian is that of Ising variables
  
  encoding the sense of rotation of the local canting around the impurities.
  
  Those degrees of freedom interact through a dipolar interaction mediated by
  
  spin waves. A ferromagnetic Ising ground state indicates the instability of the
  
  XY ferromagnet towards a spiral state with a wave vector proportional to the
  
  concentration of impurity bonds. To analyze under which circumstances such a
  
  ground state arises, we study first impurities forming superlattices. For a
  
  subclass of those, we can rigorously establish the existence of spiral order.
  
  For another class of superlattices, the Ising variables order ferromagnetically
  
  in planes perpendicular to the orientation of impurity bonds, but
  
  antiferromagnetically parallel to it, which results in a fan- like XY ground
  
  state. Second, we consider the case when the impurity bonds are randomly
  
  distributed on the three-dimensional host lattice according to a Poisson
  
  process. We show the phenomenon of spiral order by disorder with an ordering
  
  wave vector proportional to the impurity concentration. The analytical
  
  predictions are confirmed by Monte Carlo simulations and are relevant for
  
  magnetic materials such as YBaCuFeO$_5$.
  Technical report
  arXiv ID：arXiv:1610.00784
• 9aBG-3 Spin-orbit coupling and crystal field splitting in spinel oxides : RPA analysis of generalized susceptibilities　　　　　　　　　　　　　　　
  UEHARA Amane; SHINAOKA Hiroshi; MOTOME Yukitoshi
  Meeting abstracts of the Physical Society of Japan, Volume：69, Number：2, First page：399, Last page：399, 22 Aug. 2014
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110009887648, CiNii Books ID：AA11439205
• 28pCG-4 Accuracy of the downfolding scheme for multiorbital Hubbard models　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Werner Philipp; Troyer Matthias
  Meeting abstracts of the Physical Society of Japan, Volume：69, Number：1, First page：633, Last page：633, 05 Mar. 2014
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110009835850, CiNii Books ID：AA11439205
• Estimating microscopic parameters for magnetic anisotropy based on fully relativistic density functional theory and maximally localized Wannier function　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Miyake Takashi; Ishibashi Shoji
  Meeting abstracts of the Physical Society of Japan, Volume：68, Number：2, First page：235, Last page：235, 26 Aug. 2013
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110009755005, CiNii Books ID：AA11439205
• Spin-orbital frustration in molybdenum pyrochlores　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Motome Yukitoshi; Miyake Takashi; Ishibashi Shoji
  Meeting abstracts of the Physical Society of Japan, Volume：68, Number：2, First page：585, Last page：585, 26 Aug. 2013
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110009757385, CiNii Books ID：AA11439205
• Unconventional Spin-Glass Behaviors Induced by Geometrical Frustration and Spin-Lattice Coupling　　　　　　　　　　　　　　　
  SHINAOKA Hiroshi; TOMITA Yusuke; MOTOME Yukitoshi
  Volume：67, Number：11, First page：762, Last page：766, 05 Nov. 2012
  Spin glass, in which spins are frozen in random directions, appears as a result of randomness in magnetic interactions. Recently, it has been pointed out that a certain group of magnets exhibit spin-glass behaviors that are hard to explain by the conventional spin-glass theory. Focusing on geometrical frustration which is common to these magnets, we recently investigated the effects of spin-lattice coupling on spin-glass transitions. We found that many aspects of the puzzling spin-glass behaviors can be explained by a cooperative effect of the sensitivity to randomness inherent in geometrically frustrated magnets and the modification of degenerate manifold into a semidiscrete form by spin-lattice coupling.
  The Physical Society of Japan (JPS), Japanese
  ISSN：0029-0181, CiNii Articles ID：110009554159, CiNii Books ID：AN00196952
• 18aGA-4 Analysis of electronic structure of 5d pyrochlore oxide Cd_2Os_2O_7 using maximally localized Wannier function　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Miyake Takashi; Ishibashi Shoji
  Meeting abstracts of the Physical Society of Japan, Volume：67, Number：2, First page：448, Last page：448, 24 Aug. 2012
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110009600097, CiNii Books ID：AA11439205
• 18aGA-5 Magnetic excitations of spin-glass phase in Heisenberg antiferromagnets coupled with local lattice distortions on a pyrochlore lattice　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Tomita Yusuke; Motome Yukitoshi
  Meeting abstracts of the Physical Society of Japan, Volume：67, Number：2, First page：448, Last page：448, 24 Aug. 2012
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110009600098, CiNii Books ID：AA11439205
• 26pYF-1 Noncollinear magnetism and spin-orbit coupling in 5d pyrochlore oxide Cd_2Os_2O_7　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Miyake Takashi; Ishibashi Shoji
  Meeting abstracts of the Physical Society of Japan, Volume：67, Number：1, First page：671, Last page：671, 05 Mar. 2012
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110009567285, CiNii Books ID：AA11439205
• 19pEB-10 First-principles Study on Changes of Dirac Cone in alpha-(BEDT-TTF)_2I_3 and alpha-(BETS)_2I_3 at pressures　　　　　　　　　　　　　　　
  Kino Hiori; Ishibashi Shoji; Shinaoka Hiroshi; Miyake Takashi; Tsumuraya Takao; Miyazaki Tsuyoshi
  Meeting Abstracts of the Physical Society of Japan, Volume：67, Number：0, First page：775, Last page：775, 2012
  The Physical Society of Japan, Japanese
  DOI ID：10.11316/jpsgaiyo.67.2.4.0_775_3, ISSN：1342-8349, CiNii Articles ID：110009601333, CiNii Books ID：AA11439205
• 21pRA-10 Spin-glass transition in bond-disordered Heisenberg antiferromagnets coupled with local lattice distortions on a pyrochlore lattice　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Tomita Yusuke; Motome Yukitoshi
  Meeting abstracts of the Physical Society of Japan, Volume：66, Number：2, First page：414, Last page：414, 24 Aug. 2011
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110008758769, CiNii Books ID：AA11439205
• 28aTE-5 First-principle calculation of topological insulators based on the Wannier representation　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Kosugi Taichi; Miyake Takashi; Ishibashi Syoji
  Meeting abstracts of the Physical Society of Japan, Volume：66, Number：1, First page：343, Last page：343, 03 Mar. 2011
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110008610961, CiNii Books ID：AA11439205
• 24pRB-9 Numerical analysis of low-energy models ofκ-(BEDT-TTF)_2X and interlayer screening effects　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Misawa Takahiro; Nakamura Kazuma; Imada Masatoshi
  Meeting abstracts of the Physical Society of Japan, Volume：65, Number：2, First page：802, Last page：802, 18 Aug. 2010
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110008099483, CiNii Books ID：AA11439205
• 24pRB-11 Theory of electron transport in the vicinity of the Mott-Anderson transition　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Imada Masatoshi
  Meeting abstracts of the Physical Society of Japan, Volume：65, Number：2, First page：803, Last page：803, 18 Aug. 2010
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110008099485, CiNii Books ID：AA11439205
• 25pXP-1 Loop algorithm for classical Heisenberg models with spin-ice type degeneracy　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Tomita Yusuke; Motome Yukitoshi
  Meeting abstracts of the Physical Society of Japan, Volume：65, Number：2, First page：605, Last page：605, 18 Aug. 2010
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110008098738, CiNii Books ID：AA11439205
• 23aTE-3 Loop algorithm for classical Heisenberg models with spin-ice type degeneracy　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Motome Yukitoshi
  Meeting abstracts of the Physical Society of Japan, Volume：65, Number：2, First page：210, Last page：210, 18 Aug. 2010
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110008097234, CiNii Books ID：AA11439205
• 26aYC-3 Numerical analysis of low-energy models of κ-(BEDT-TTF)_2X　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Nakamura Kazuma; Imada Masatoshi
  Meeting abstracts of the Physical Society of Japan, Volume：64, Number：2, First page：745, Last page：745, 18 Aug. 2009
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110007498720, CiNii Books ID：AA11439205
• 27aVL-5 Soft Hubbard gaps under coexisting short-range interaction and disorder　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Imada Masatoshi
  Meeting abstracts of the Physical Society of Japan, Volume：64, Number：1, First page：530, Last page：530, 03 Mar. 2009
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110007371644, CiNii Books ID：AA11439205
• 20pQF-6 Soft Coulomb gaps in disorderd Hubbard models　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Imada Masatoshi
  Meeting abstracts of the Physical Society of Japan, Volume：63, Number：2, First page：457, Last page：457, 25 Aug. 2008
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110006984156, CiNii Books ID：AA11439205
• 24aPS-1 Numerical studies of Mott-Anderson model　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Imada Masatoshi
  Meeting abstracts of the Physical Society of Japan, Volume：63, Number：1, First page：570, Last page：570, 29 Feb. 2008
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110007192075, CiNii Books ID：AA11439205
• 21pWF-11 Ground-state phase diagram of disordered Hubbard model　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Imada Masatoshi
  Meeting abstracts of the Physical Society of Japan, Volume：62, Number：2, First page：552, Last page：552, 21 Aug. 2007
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110007141029, CiNii Books ID：AA11439205
• 20pXE-7 Mean field study on Mott-Anderson transition　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Imada Masatoshi
  Meeting abstracts of the Physical Society of Japan, Volume：62, Number：1, First page：636, Last page：636, 28 Feb. 2007
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110007139934, CiNii Books ID：AA11439205
• 26pYH-5 Structure/orbital dependence of non-linear conductance of nanometer-scale metal wire　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Hoshi Takeo; Fujiwara Takeo
  Meeting abstracts of the Physical Society of Japan, Volume：61, Number：2, First page：775, Last page：775, 18 Aug. 2006
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110007182048, CiNii Books ID：AA11439205
• 30pXJ-9 Origin of non-linear conductance of nanometer-scale metal wire　　　　　　　　　　　　　　　
  Shinaoka Hiroshi; Hoshi Takeo; Yamamoto Susumu; Fujiwara Takeo
  Meeting abstracts of the Physical Society of Japan, Volume：61, Number：1, First page：915, Last page：915, 04 Mar. 2006
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110007180116, CiNii Books ID：AA11439205
• 20aYE-11 Effects of structures of electrodes for current in nano-scale metal　　　　　　　　　　　　　　　
  品岡 寛; 井口 雄介; 星 健夫; 藤原 毅夫
  Meeting abstracts of the Physical Society of Japan, Volume：60, Number：2, First page：743, Last page：743, 19 Aug. 2005
  The Physical Society of Japan (JPS), Japanese
  ISSN：1342-8349, CiNii Articles ID：110004559755, CiNii Books ID：AA11439205

• 最大エントロピー法でいいの? —スパースモデリングの量子多体論への応用—　　　　　　　　　　　　　　　
  大槻純也; 大関真之; 品岡寛; 吉見一慶, [Joint work]
  Apr. 2018
• 第一原理計算から探るパイロクロア酸化物のスピン軌道物理　　　　　　　　　　　　　　　
  品岡寛; 求幸年; 三宅隆; 石橋章司, [Joint work]
  Mar. 2018
• 幾何学的フラストレーションとスピン格子結合から生じる新しいスピングラス挙動　　　　　　　　　　　　　　　
  品岡寛; 富田裕介; 求幸年, [Joint work]
  Nov. 2012

• Quantics Tensor Trains meet quantum field theories　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  The 13th Workshop on Quantum Many-Body Computation, Apr. 2025, [Invited]
  Apr. 2025 - Apr. 2025, English, Invited oral presentation
  共同研究・競争的資金等ID：44554459;32754248;49832578
• Efficient Computations in Quantics Field Theories using Quantics Tensor Trains　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  2025 Annual Meeting of the Physical Society of Taiwan, Jan. 2025, [Invited]
  Jan. 2025 - Jan. 2025, English, Invited oral presentation
  共同研究・競争的資金等ID：44554459;32210400;32754248;49832578
• Exploiting hidden low-rank structures in quantum field theories　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  2024 Strongly correlated physics – Numerical and Analytical approaches, Aug. 2024, [Invited]
  English, Invited oral presentation
  共同研究・競争的資金等ID：44554459;32210400;32754248;49832578
• Exploiting hidden low-rank structures in physics　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  SQAI-NCTS Workshop on Tensor Network and Quantum Embedding, Mar. 2024, [Invited]
  English, Invited oral presentation
  共同研究・競争的資金等ID：44554459;32210400
• Computational backends of quantum embedding theories　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  HIerarchical Structure and Machine Learning (HISML) 2023, Oct. 2023, [Invited]
  English, Invited oral presentation
  共同研究・競争的資金等ID：32210400;32754248;13805426
• Tensorizing Feynman diagrams: quantics tensor trains and quantics tensor cross interpolation　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  ExU-YITP Workshop on Condensed Matter Physics and Quantum Information, Sep. 2023, [Invited]
  English, Invited oral presentation
  共同研究・競争的資金等ID：32210400;32754248;13805426
• Quantics tensor train approaches for quantum field theories　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  Tensor Network States: Algorithms and Applications (TNSAA) 2023, Aug. 2023, [Invited]
  English, Invited oral presentation
  共同研究・競争的資金等ID：32210400;13805426;32754248
• Multi-scale space-time ansatz for correlation functions of quantum systems based on quantics tensor trains　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Markus Wallerberger; Yuta Murakami; Kosuke Nogaki; Rihito Sakurai; Philipp Werner; Anna Kauch
  8th International Conference on Statistical Physics, Aug. 2023
  English, Oral presentation
  共同研究・競争的資金等ID：32210400;13805426;32754248
• Multiscale space-time ansatz for correlation functions of quantum systems based on quantics tensor trains　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Markus Wallerberger; Yuta Murakami; Kosuke Nogaki; Rihito Sakurai; Philipp Werner; Anna Kauch
  34th IUPAP Conference on Computational Physics (CCP2023), Aug. 2023
  English, Oral presentation
  共同研究・競争的資金等ID：32210400;13805426;32754248
• Multi-scale Space-time Ansatz for Correlation Functions of Quantum Systems Based on Quantics Representations　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Markus Wallerberger; Yuta Murakami; Kosuke Nogaki; Rihito Sakurai; Philipp Werner; Anna Kauch
  International Conference on Strongly Correlated Electron Systems (SCES 2023), Jul. 2023
  English, Oral presentation
  共同研究・競争的資金等ID：32210400;13805426;32754248
• Quantics tensor trains and many-body physics　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  Mar. 2023, [Invited]
  Mar. 2023 - Mar. 2023, Invited oral presentation
  共同研究・競争的資金等ID：32210400;32754248
• 5dパイロクロア酸化物における圧力効果の強相関極限解析　　　　　　　　　　　　　　　
  岩﨑龍太; 品岡寛; 星野晋太郎
  Mar. 2023
  Mar. 2023 - Mar. 2023, Oral presentation
• スパースサンプリング法の数値的ノイズに対する安定性の解析　　　　　　　　　　　　　　　
  柿澤文哉; 品岡寛
  Mar. 2023
  Mar. 2023 - Mar. 2023, Oral presentation
• 量子系の相関関数に対する多スケール時空仮説　　　　　　　　　　　　　　　
  品岡寛; Markus Wallerberger; 村上雄太; 野垣康介; 櫻井理人; Philipp Werner; Anna Kauch
  Mar. 2023
  Mar. 2023 - Mar. 2023, Oral presentation
• クラスター型量子不純物問題に対するコンパクトな変分量子回路設計　　　　　　　　　　　　　　　
  櫻井理人; 水上渉; 品岡寛
  Mar. 2023
  Mar. 2023 - Mar. 2023, Oral presentation
• Compact quantum circuits of variational quantum eigensolver for quantum impurity models　　　　　　　　　　　　　　　
  Rihito Sakurai; Wataru Mizukami; Hiroshi Shinaoka
  APS March meeting 2023, Mar. 2023
  Mar. 2023 - Mar. 2023, English, Oral presentation
  共同研究・競争的資金等ID：32210400
• Multiscale space-time ansatz for response functions of quantum systems　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  Trends in the Theory of Quantum Materials, Oct. 2022, [Invited]
  Oct. 2022 - Nov. 2022, English, Invited oral presentation
  共同研究・競争的資金等ID：32210400;32754248
• 動的平均場理論による多極子揺らぎと多極子相互作用の導出：CeB6への応用　　　　　　　　　　　　　　　
  大槻純也; 吉見一慶; 品岡寛; H. O. Jeschke
  Sep. 2022
  Sep. 2022 - Sep. 2022, Oral presentation
• 局在多軌道電子系におけるモンテカルロ解析　　　　　　　　　　　　　　　
  星野晋太郎; 岩﨑龍太; 品岡寛
  Sep. 2022
  Sep. 2022 - Sep. 2022, Oral presentation
• 多軌道系のスパースモデリング解析接続　　　　　　　　　　　　　　　
  本山裕一; 品岡寛; 吉見一慶; 大槻純也
  Sep. 2022
  Sep. 2022 - Sep. 2022, Oral presentation
• スパースモデリングを用いた超伝導準古典理論：自己無撞着方程式の高速解法　　　　　　　　　　　　　　　
  永井佑紀; 品岡寛
  Sep. 2022
  Sep. 2022 - Sep. 2022, Oral presentation
• 量子不純物問題に特化した変分量子固有値法の量子回路　　　　　　　　　　　　　　　
  櫻井理人; 水上渉; 品岡寛
  Sep. 2022
  Sep. 2022 - Sep. 2022, Oral presentation
• Hybrid quantum-classical algorithm for computing imaginary-time correlation functions　　　　　　　　　　　　　　　
  Rihito Sakurai; Wataru Mizukami; Hiroshi Shinaoka
  YITP international workshop ``Quantum Information Entropy in Physics’’, Mar. 2022
  Mar. 2022 - Mar. 2022, English, Poster presentation
  共同研究・競争的資金等ID：32210400
• 量子古典融合アルゴリズムを用いた虚時間相関関数の計算　　　　　　　　　　　　　　　
  Rihito Sakurai; Wataru Mizukami; Hiroshi Shinaoka
  Mar. 2022
  Mar. 2022 - Mar. 2022, Japanese, Oral presentation
• Sparse-modeling solver for dynamical two-particle response of correlated electrons　　　　　　　　　　　　　　　
  Hiroshi Shinaoka; Markus Wallerberger; Anna Kauch
  APS March Meeting 2022, Mar. 2022
  Mar. 2022 - Mar. 2022, English, Oral presentation
  共同研究・競争的資金等ID：32754248
• Quantum-classical hybrid algorithms for computing imaginary-time response functions on noisy intermediate-scale quantum devices　　　　　　　　　　　　　　　
  Rihito Sakurai; Wataru Mizukami; Hiroshi Shinaoka
  American Physical Society (APS) march meeting 2022, Mar. 2022
  Mar. 2022 - Mar. 2022, English, Oral presentation
  共同研究・競争的資金等ID：32210400
• Hybrid quantum-classical algorithm for computing imaginary-time correlation function　　　　　　　　　　　　　　　
  Rihito Sakurai; Wataru Mizukami; Hiroshi Shinaoka
  International Conference on Strongly Correlated Electron Systems 2020 (SCES 2020), Sep. 2021
  Sep. 2021 - Oct. 2021, English, Oral presentation
• Sparse modeling approach to analytical continuation of imaginary-time data and quantum many-body calculations　　　　　　　　　　　　　　　
  Hiroshi Shinaoka
  Tackling the real time challenge in strongly correlated systems: spectral properties from euclidean path integrals, Sep. 2021, [Invited]
  Sep. 2021 - Sep. 2021, English, Invited oral presentation
  共同研究・競争的資金等ID：32754248
• Sparse sampling approach to susceptibility calculations in dynamical mean-field theory　　　　　　　　　　　　　　　
  SHINAOKA Hiroshi
  International Focus Workshop Computational Approaches to Magnetic Systems, Aug. 2019, [Invited], [International conference]
  English, Invited oral presentation
• Tensor learning approach to sparse QMC sampling of two-particle Green’s function in DMFT　　　　　　　　　　　　　　　
  SHINAOKA Hiroshi
  Computational Approaches to Quantum Many-body Problems (CAQMP2019), Jul. 2019, [International conference]
  English, Oral presentation
• Sparse QMC sampling of two-particle Green’s function and tensor learning: Application to DMFT　　　　　　　　　　　　　　　
  SHINAOKA Hiroshi
  The 5th Conference on Condensed Matter Physics (Liyang, China), Jun. 2019, [Invited], [International conference]
  English, Invited oral presentation
• DMFT software for CorreLated Electrons　　　　　　　　　　　　　　　
  SHINAOKA Hiroshi
  TRIQS meeting 2019 (Collège de France, Paris), Jun. 2019, [Invited], [Domestic conference]
  English, Invited oral presentation
• 動的平均場理論による多体量子計算用ツールDCoreの紹介　　　　　　　　　　　　　　　
  品岡 寛; 吉見 一慶
  Jun. 2018, [Invited], [Domestic conference]
  Japanese, Invited oral presentation
• 量子格子模型プログラムパッケージDCore (integrated DMFT software for CORrelated Electrons)の開発　　　　　　　　　　　　　　　
  品岡寛; 河村光晶; 吉見一慶; 加藤岳生; 大槻純也
  Apr. 2018, [Invited], [Domestic conference]
  Japanese, Invited oral presentation
• Review on the present situation of open source codes of DMFT　　　　　　　　　　　　　　　
  SHINAOKA Hiroshi
  Feb. 2017, [Invited], [Domestic conference]
  Japanese, Invited oral presentation
• First principles study on pyrochlore systems　　　　　　　　　　　　　　　
  SHINAOKA Hiroshi
  Computational methods towards engineering novel correlated materials, Oct. 2016, [Invited], [International conference]
  English, Invited oral presentation

• Computational materials science based on quantum-classical hybrid algorithms　　　　　　　　　　　　　　　
  Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research, Grant-in-Aid for Transformative Research Areas (B), 01 Apr. 2023 - 31 Mar. 2026
  Saitama University
  Grant amount(Total)：32240000, Direct funding：24800000, Indirect funding：7440000
  Grant number：23H03816
• Construction of effective material models using quantum embedding theories　　　　　　　　　　　　　　　
  Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research, Grant-in-Aid for Transformative Research Areas (B), 01 Apr. 2023 - 31 Mar. 2026
  Saitama University
  Grant amount(Total)：49530000, Direct funding：38100000, Indirect funding：11430000
  Grant number：23H03817
  論文ID：49535082, 講演・口頭発表等ID：49832547
• Extension and demonstration of two-particle-level computational theory based on dimensionality reduction to nonlocal electron correlation effects　　　　　　　　　　　　　　　
  Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research, Fund for the Promotion of Joint International Research (Fostering Joint International Research (A)), 2023 - 2025
  Saitama University
  Grant amount(Total)：15470000, Direct funding：11900000, Indirect funding：3570000
  Grant number：22KK0226
  論文ID：49535082, 講演・口頭発表等ID：49832547
• スパースモデリングを用いた固体の革新的量子計算技術の開発　　　　　　　　　　　　　　　
  JST, PREST, Nov. 2020 - Apr. 2024
  Saitama University, Principal investigator
  論文ID：49535082, 講演・口頭発表等ID：49461636
• Development of theories for strongly correlated materials design　　　　　　　　　　　　　　　
  Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research, Grant-in-Aid for Scientific Research (B), 01 Apr. 2021 - 31 Mar. 2024
  Okayama University
  Grant amount(Total)：17550000, Direct funding：13500000, Indirect funding：4050000
  Grant number：21H01041
  論文ID：48886386
• First-principles calculations of two-particle response realized by dimensionality reduction　　　　　　　　　　　　　　　
  Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research, Grant-in-Aid for Scientific Research (B), 01 Apr. 2021 - 31 Mar. 2024
  Saitama University
  Grant amount(Total)：17420000, Direct funding：13400000, Indirect funding：4020000
  Grant number：21H01003
  論文ID：49535082, 講演・口頭発表等ID：49832547
• 高次元データの次元圧縮によって実現する磁性と超伝導の第一原理計算　　　　　　　　　　　　　　　
  Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B), Grant-in-Aid for Scientific Research (B), 01 Apr. 2018 - 31 Mar. 2021
  Okayama University
  Grant amount(Total)：17420000, Direct funding：13400000, Indirect funding：4020000
  Competitive research funding, Grant number：18H01158
  論文ID：49535082, 講演・口頭発表等ID：43875808
• First-principle studies of superlattice systems of 5d pyrochlores　　　　　　　　　　　　　　　
  Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research Grant-in-Aid for Young Scientists (B), Grant-in-Aid for Young Scientists (B), 01 Apr. 2016 - 31 Mar. 2019
  Shinaoka Hiroshi, Saitama University
  Grant amount(Total)：3640000, Direct funding：2800000, Indirect funding：840000
  We developed open-source softwares implementing continuous-time quantum impurity solvers based on the interaction-expansion and hybridization-expansion algorithms. We developed a new algorithm for numerical analytic continuation of quantum Monte Carlo data to spectral functions. We found a new basis set for representing imaginary-time dependence of Matsubara Green's functions. The new basis greately reduces memory footprints of quantum many-body calculations. We developed an open-source software for computing properties of strongly correlated electronic systems "DCore" based on dynamical mean-field theory.
  Grant number：16K17735
• 第一原理計算による 5d パイロクロア酸化物超格子系の物性解明　　　　　　　　　　　　　　　
  Apr. 2016 - Mar. 2019
  Principal investigator
  Competitive research funding
• 多極子遍歴系に対する計算物理学手法の開発: 多軌道クラスター型動的平均場近似　　　　　　　　　　　　　　　
  Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), 01 Apr. 2016 - 31 Mar. 2018
  Saitama University, Principal investigator
  Grant amount(Total)：2210000, Direct funding：1700000, Indirect funding：510000
  Competitive research funding, Grant number：16H01064
• ナノメートルスケール金属ワイヤにおける変形過程と非平衡電気伝導の第一原理計算　　　　　　　　　　　　　　　
  Japan Society for the Promotion of Science, Grants-in-Aid for Scientific Research Grant-in-Aid for JSPS Fellows, Grant-in-Aid for JSPS Fellows, 2006 - 2008
  The University of Tokyo, Principal investigator
  Grant amount(Total)：2800000, Direct funding：2800000
  Competitive research funding, Grant number：06J11272