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Investigation of roles of phonons and phonon-induced functional properties in strongly-correlated materials

Research Project

Project/Area Number 17K14336
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Condensed matter physics II
Research InstitutionInstitute of Physical and Chemical Research (2019-2020)
The University of Tokyo (2017-2018)

Principal Investigator

Nomura Yusuke  国立研究開発法人理化学研究所, 創発物性科学研究センター, 研究員 (20793756)

Project Period (FY) 2017-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2019: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2018: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2017: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords電子格子相互作用 / 機械学習 / ニッケル酸化物 / 物質デザイン / 超伝導 / 第一原理計算 / 強相関電子系 / 銅酸化物高温超伝導体 / フォノン / 制限ボルツマンマシン / 変分波動関数 / クーロン相互作用
Outline of Final Research Achievements

In strongly correlated materials, which exhibit various functional properties such as magnetism and superconductivity, electronic degrees of freedom are closely intertwined with phonon (lattice vibration) degrees of freedom. However, the role of phonons in strongly correlated materials remains largely unexplored. The purpose of this study was to advance our understanding of the interplay between electron and phonon degrees of freedom in strongly correlated systems. In this study, we developed a powerful solver for electron-phonon-coupled models using machine learning, and laid the foundation for understanding the phonon degrees of freedom in real materials. In addition, we have obtained important implications showing the possibility of enhancing superconductivity by controlling the lattice structure in the recently discovered nickel oxide superconductors.

Academic Significance and Societal Importance of the Research Achievements

強相関系においてフォノンの自由度を理解することは、格子自由度を制御することによって新たな機能物性の可能性を探るための重要な知見をもたらす。これまで、フォノン自由度を解析できる強力な数値手法は限られていたが、本研究によって強力な数値手法を開発することで、フォノンの役割をより詳細に解析できるようになった。またニッケル酸化物超伝導体における物質デザインは、実験による新ニッケル酸化物合成のための有用な指針を与えた。このように理論と実験が協力することによって、新たな超伝導体を探す試みを促進することができる。

Report

(5 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Research-status Report
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (59 results)

All 2021 2020 2019 2018 2017 Other

All Int'l Joint Research (8 results) Journal Article (16 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 16 results,  Open Access: 5 results) Presentation (31 results) (of which Int'l Joint Research: 14 results,  Invited: 17 results) Remarks (4 results)

  • [Int'l Joint Research] University of Michigan(米国)

    • Related Report
      2020 Annual Research Report
  • [Int'l Joint Research] ミシガン大学(米国)

    • Related Report
      2019 Research-status Report
  • [Int'l Joint Research] オックスフォード大学/インペリアル・カレッジ・ロンドン(英国)

    • Related Report
      2019 Research-status Report
  • [Int'l Joint Research] EPFL(スイス)

    • Related Report
      2019 Research-status Report
  • [Int'l Joint Research] Flatiron Institute(米国)

    • Related Report
      2018 Research-status Report
  • [Int'l Joint Research] Flatiron Institute(米国)

    • Related Report
      2017 Research-status Report
  • [Int'l Joint Research] Ecole Polytechnique(France)

    • Related Report
      2017 Research-status Report
  • [Int'l Joint Research] University of Hamburg(Germany)

    • Related Report
      2017 Research-status Report
  • [Journal Article] Geometrical Hall effect and momentum-space Berry curvature from spin-reversed band pairs2021

    • Author(s)
      Hirschberger Max、Nomura Yusuke、Mitamura Hiroyuki、Miyake Atsushi、Koretsune Takashi、Kaneko Yoshio、Spitz Leonie、Taguchi Yasujiro、Matsuo Akira、Kindo Koichi、Arita Ryotaro、Tokunaga Masashi、Tokura Yoshinori
    • Journal Title

      Physical Review B

      Volume: 103 Issue: 4

    • DOI

      10.1103/physrevb.103.l041111

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 機械学習手法を用いて量子多体系に挑む ―手法拡張を含む最近の進展―2021

    • Author(s)
      野村悠祐
    • Journal Title

      固体物理

      Volume: 56 Pages: 117-130

    • NAID

      40022518161

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Machine Learning Quantum States ― Extensions to Fermion-Boson Coupled Systems and Excited-State Calculations2020

    • Author(s)
      Nomura Yusuke
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 89 Issue: 5 Pages: 054706-054706

    • DOI

      10.7566/jpsj.89.054706

    • NAID

      40022226628

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Efficient implementation of the continuous-time interaction-expansion quantum Monte Carlo method2020

    • Author(s)
      Shinaoka Hiroshi、Nomura Yusuke、Gull Emanuel
    • Journal Title

      Computer Physics Communications

      Volume: 252 Pages: 106826-106826

    • DOI

      10.1016/j.cpc.2019.06.016

    • Related Report
      2020 Annual Research Report 2019 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Higgs-mode resonance in third harmonic generation in NbN superconductors: Multiband electron-phonon coupling, impurity scattering, and polarization-angle dependence2020

    • Author(s)
      Tsuji Naoto、Nomura Yusuke
    • Journal Title

      Physical Review Research

      Volume: 2 Issue: 4

    • DOI

      10.1103/physrevresearch.2.043029

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Efficient ab initio Migdal-Eliashberg calculation considering the retardation effect in phonon-mediated superconductors2020

    • Author(s)
      Tianchun Wang, Takuya Nomoto, Yusuke Nomura, Hiroshi Shinaoka, Junya Otsuki, T. Koretsune, and Ryotaro Arita
    • Journal Title

      Physical Review B

      Volume: 102 Issue: 13 Pages: 134503-134503

    • DOI

      10.1103/physrevb.102.134503

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Magnetic exchange coupling in cuprate-analog d9 nickelates2020

    • Author(s)
      Nomura Yusuke、Nomoto Takuya、Hirayama Motoaki、Arita Ryotaro
    • Journal Title

      Physical Review Research

      Volume: 2 Issue: 4 Pages: 043144-043144

    • DOI

      10.1103/physrevresearch.2.043144

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] ニッケル酸化物新超伝導体の発見:現状と展望2020

    • Author(s)
      野村悠祐、平山元昭、北谷基治、只野央将、有田亮太郎
    • Journal Title

      固体物理

      Volume: 55 Pages: 491-503

    • NAID

      40022384103

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Wannier90 as a community code: new features and applications2020

    • Author(s)
      Pizzi Giovanni et al
    • Journal Title

      Journal of Physics: Condensed Matter

      Volume: 32 Issue: 16 Pages: 165902-165902

    • DOI

      10.1088/1361-648x/ab51ff

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Materials design of dynamically stable d9 layered nickelates2020

    • Author(s)
      Hirayama Motoaki、Tadano Terumasa、Nomura Yusuke、Arita Ryotaro
    • Journal Title

      Physical Review B

      Volume: 101 Issue: 7 Pages: 075107-075107

    • DOI

      10.1103/physrevb.101.075107

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Strong-coupling formula for momentum-dependent susceptibilities in dynamical mean-field theory2019

    • Author(s)
      Otsuki Junya、Yoshimi Kazuyoshi、Shinaoka Hiroshi、Nomura Yusuke
    • Journal Title

      Physical Review B

      Volume: 99 Issue: 16

    • DOI

      10.1103/physrevb.99.165134

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Ab initio derivation of an effective Hamiltonian for the La2CuO4/La1.55Sr0.45CuO4 heterostructure2019

    • Author(s)
      Tadano Terumasa、Nomura Yusuke、Imada Masatoshi
    • Journal Title

      Physical Review B

      Volume: 99 Issue: 15

    • DOI

      10.1103/physrevb.99.155148

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] "Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2"2019

    • Author(s)
      "Yusuke Nomura, Motoaki Hirayama, Terumasa Tadano, Yoshihide Yoshimoto, Kazuma Nakamura, and Ryotaro Arita"
    • Journal Title

      PHYSICAL REVIEW B

      Volume: 100 Issue: 20 Pages: 205138-205138

    • DOI

      10.1103/physrevb.100.205138

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Stripe and superconducting order competing in the Hubbard model on a square lattice studied by a combined variational Monte Carlo and tensor network method2018

    • Author(s)
      Darmawan Andrew S.、Nomura Yusuke、Yamaji Youhei、Imada Masatoshi
    • Journal Title

      Physical Review B

      Volume: 98 Issue: 20

    • DOI

      10.1103/physrevb.98.205132

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Constructing exact representations of quantum many-body systems with deep neural networks2018

    • Author(s)
      Carleo Giuseppe、Nomura Yusuke、Imada Masatoshi
    • Journal Title

      Nature Communications

      Volume: 9 Issue: 1

    • DOI

      10.1038/s41467-018-07520-3

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Restricted Boltzmann machine learning for solving strongly correlated quantum systems2017

    • Author(s)
      Yusuke Nomura, Andrew S. Darmawan, Youhei Yamaji, and Masatoshi Imada
    • Journal Title

      Phys. Rev. B

      Volume: 96 Issue: 20

    • DOI

      10.1103/physrevb.96.205152

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Presentation] 機械学習を用いた量子多体波動関数表現:物理の難問であるフラストレーションのある量子スピン系への適用2021

    • Author(s)
      野村悠祐
    • Organizer
      第11回材料系ワークショップ ~マテリアルDXを加速する「富岳」を活用した成果の創出に向けて~
    • Related Report
      2020 Annual Research Report
  • [Presentation] Magnetic exchange coupling in theoretically-designed cuprate-analog d9 nickelates2021

    • Author(s)
      Yusuke Nomura
    • Organizer
      APS March meeting 2021
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Application of machine learning beyond benchmarks reveals Dirac-type nodal spin liquid in the J1-J2 Heisenberg model2020

    • Author(s)
      Yusuke Nomura
    • Organizer
      Machine Learning for Quantum Simulation
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ボルツマンマシンを用いた量子多体波動関数表現:深層ボルツマンマシンによる厳密な表現と制限ボルツマンマシンによる数値的近似表現2020

    • Author(s)
      野村悠祐
    • Organizer
      Deep learning and Physics 2020
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 機械学習手法を用いた量子多体系の研究 ー手法拡張を含む最近の進展2020

    • Author(s)
      野村悠祐
    • Organizer
      CMTセミナー
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] ニッケル酸化物超伝導体NdNiO2における強相関電子系形成と新物質デザイン2020

    • Author(s)
      野村悠祐
    • Organizer
      日本物理学会秋季大会2020
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Machine learning quantum states ― Extension of methods and application to frustrated spin systems2020

    • Author(s)
      Yusuke Nomura
    • Organizer
      International Conference on Fugaku project Emergence and Functionality of Quantum Matter 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ニッケル酸化物新超伝導体における強相関電子系形成と物質デザイン2020

    • Author(s)
      野村悠祐
    • Organizer
      京都大学基礎物理学研究所 研究会 「高温超伝導・非従来型超伝導研究の最前線:多様性と普遍性」
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 機械学習を用いた2次元J1-J2ハイゼンベルグ模型の研究2020

    • Author(s)
      野村悠祐
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の新展開2020」
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Machine learning for analyzing strongly-correlated systems2020

    • Author(s)
      Yusuke Nomura
    • Organizer
      International Workshop on High-Performance Computing and Programming on Quantum Chemistry and Physics 2020 (HPCPQCP2020)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Nickelate superconductivity ーFormation of self-doped 2D single-orbital correlated electron systems in NdNiO22020

    • Author(s)
      Yusuke Nomura
    • Organizer
      APS March Meeting
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Symmetry-adapted Wannier functions2020

    • Author(s)
      Yusuke Nomura
    • Organizer
      School on Wannier90 v3.0: new features and applications
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Machine learning for solving quantum many-body Hamiltonians2019

    • Author(s)
      Yusuke Nomura
    • Organizer
      International Conference on Frontiers of Correlated Electron Sciences (FCES19)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] 物性物理における機械学習2019

    • Author(s)
      野村悠祐
    • Organizer
      パリ異分野融合科学者の会 第1回研究会
    • Related Report
      2019 Research-status Report
    • Invited
  • [Presentation] Machine learning for studying strongly correlated systems2019

    • Author(s)
      Yusuke Nomura
    • Organizer
      The 5th Conference on Condensed Matter Physics (CCMP)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Machine learning solvers for strongly-correlated systems2019

    • Author(s)
      Yusuke Nomura
    • Organizer
      Computational Approaches to Quantum Many-body Problems (CAQMP2019)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Machine learning for solving strongly-correlated systems2019

    • Author(s)
      Yusuke Nomura
    • Organizer
      International Conference on Strongly Correlated Electron Systems (SCES2019)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] ニッケル酸化物超伝導体NdNiO2における強相関電子系形成とそのバンドエンジニアリング2019

    • Author(s)
      野村悠祐
    • Organizer
      基研研究会 「電子相関が生み出す超伝導現象の未解決問題と新しい潮流」
    • Related Report
      2019 Research-status Report
  • [Presentation] 制限付きボルツマンマシンを用いた量子多体系の機械学習ソルバーの開発2019

    • Author(s)
      野村悠祐
    • Organizer
      第八回「強相関電子系理論の最前線」
    • Related Report
      2018 Research-status Report
    • Invited
  • [Presentation] 電子格子相互作用のある系に対する機械学習ソルバーの開発2019

    • Author(s)
      野村悠祐
    • Organizer
      日本物理学会 第74回年次大会
    • Related Report
      2018 Research-status Report
  • [Presentation] 機械学習を用いた量子多体系の基底状態計算2018

    • Author(s)
      野村悠祐
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の今と未来」
    • Related Report
      2018 Research-status Report
    • Invited
  • [Presentation] Machine learning using Boltzmann machines for solving strongly correlated systems2018

    • Author(s)
      Yusuke Nomura
    • Organizer
      Computational Approaches to Magnetic Systems (CAMS 2018)
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Machine-learning solvers for quantum many-body systems2018

    • Author(s)
      Yusuke Nomura
    • Organizer
      日本物理学会 2018度秋季大会
    • Related Report
      2018 Research-status Report
    • Invited
  • [Presentation] Recent progress in machine-learning solvers: calculations of excited states and extensions to electron-phonon coupled systems2018

    • Author(s)
      Yusuke Nomura
    • Organizer
      Mini-workshop on “Machine Learning in Physics"
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Solving quantum many-body Hamiltonians with artificial neural networks2018

    • Author(s)
      Yusuke Nomura
    • Organizer
      Tensor Network States: Algorithms and Applications (TNSAA) 2018-2019
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 強相関系の数値的研究: フラーレン超伝導体の研究・機械学習の技術を使った多体系ソルバー2018

    • Author(s)
      野村悠祐
    • Organizer
      第38回kyutechセミナー・応用物理学会特別講演会
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] 深層ボルツマンマシンを用いた量子多体系の基底状態波動関数の厳密な構築2018

    • Author(s)
      Giuseppe Carleo、野村悠祐(登壇者)、今田正俊
    • Organizer
      日本物理学会 第73回年次大会
    • Related Report
      2017 Research-status Report
  • [Presentation] Restricted-Boltzmann-Machine Learning for Solving Hubbard and Heisenberg Models2018

    • Author(s)
      Yusuke Nomura, Andrew S. Darmawan, Youhei Yamaji, Masatoshi Imada
    • Organizer
      APS March meeting
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] 制限ボルツマンマシンを用いた量子多体系の機械学習ソルバー2018

    • Author(s)
      野村悠祐
    • Organizer
      強的秩序とその操作に関わる研究グループ 第6回研究会
    • Related Report
      2017 Research-status Report
  • [Presentation] 制限付きボルツマンマシンを用いた量子多体系の機械学習ソルバーの開発2017

    • Author(s)
      野村悠祐
    • Organizer
      第七回「強相関電子系理論の最前線」
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] 格子上の量子多体系のための、多変数変分モンテカルロ法を組み合わせたニューラル・ネットワーク法の開発2017

    • Author(s)
      野村悠祐、Andrew S. Darmawan、山地洋平、今田正俊
    • Organizer
      日本物理学会 2017年秋季大会
    • Related Report
      2017 Research-status Report
  • [Remarks] Yusuke Nomura's Website

    • URL

      https://sites.google.com/view/yusuke-nomuras-webpage-jp

    • Related Report
      2020 Annual Research Report 2019 Research-status Report
  • [Remarks] Google Scholar

    • URL

      https://scholar.google.co.jp/citations?user=ZPMcgB8AAAAJ&hl=ja&oi=ao

    • Related Report
      2020 Annual Research Report
  • [Remarks] RIKEN Research highlights

    • URL

      https://www.riken.jp/en/news_pubs/research_news/rr/20200313_1/

    • Related Report
      2019 Research-status Report
  • [Remarks] Yusuke Nomura's Website

    • URL

      https://sites.google.com/view/yusuke-nomuras-webpage-en/home

    • Related Report
      2018 Research-status Report

URL: 

Published: 2017-04-28   Modified: 2022-02-21  

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