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2023 Fiscal Year Annual Research Report

First-principles calculations of two-particle response realized by dimensionality reduction

Research Project

Project/Area Number 21H01003
Research InstitutionSaitama University

Principal Investigator

品岡 寛  埼玉大学, 理工学研究科, 准教授 (40773023)

Co-Investigator(Kenkyū-buntansha) 吉見 一慶  東京大学, 物性研究所, 特任研究員 (10586910)
大槻 純也  岡山大学, 異分野基礎科学研究所, 准教授 (60513877)
是常 隆  東北大学, 理学研究科, 教授 (90391953)
播木 敦  大阪公立大学, 大学院工学研究科, 准教授 (90875783)
Project Period (FY) 2021-04-01 – 2024-03-31
Keywords量子埋め込み理論 / テンソルネットワーク
Outline of Annual Research Achievements

2022年度に開発したQuantics Tensor Train (QTT)による応答関数の次元圧縮技術の深化、と実用化に向けた研究を行った。具体的には以下の成果を達成した。
* QTTとテンソルネットワーク表現学習技術Tensor Cross Interpolation (TCI)を融合したQuantics Tensor Cross Interpolation (QTCI)技術の開発と、それに基づく波数積分技術の開発
* QTT, TCIに関するオープンソースソフトウェア開発。特にJulia言語を用いた実装を行った。開発成果は、オンラインhttps://github.com/tensor4allで公開されており、2024年度にソフトウェア論文を、日本、フランス、ドイツの研究グループと執筆予定である。

Research Progress Status

令和5年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

令和5年度が最終年度であるため、記入しない。

  • Research Products

    (19 results)

All 2024 2023 Other

All Int'l Joint Research (4 results) Journal Article (15 results) (of which Int'l Joint Research: 6 results,  Peer Reviewed: 15 results,  Open Access: 3 results)

  • [Int'l Joint Research] フリブール大学(スイス)

    • Country Name
      SWITZERLAND
    • Counterpart Institution
      フリブール大学
  • [Int'l Joint Research] ウィーン工科大学(オーストリア)

    • Country Name
      AUSTRIA
    • Counterpart Institution
      ウィーン工科大学
  • [Int'l Joint Research] CEAグルノーブル(フランス)

    • Country Name
      FRANCE
    • Counterpart Institution
      CEAグルノーブル
  • [Int'l Joint Research] LMUミュンヘン(ドイツ)

    • Country Name
      GERMANY
    • Counterpart Institution
      LMUミュンヘン
  • [Journal Article] Monte Carlo study on low-temperature phase diagrams of the J1-J2 kagome antiferromagnet2024

    • Author(s)
      Kakizawa Fumiya、Misawa Takahiro、Shinaoka Hiroshi
    • Journal Title

      Physical Review B

      Volume: 109 Pages: 014439-1~15

    • DOI

      10.1103/PhysRevB.109.014439

    • Peer Reviewed
  • [Journal Article] Quantics Tensor Cross Interpolation for High-Resolution Parsimonious Representations of Multivariate Functions2024

    • Author(s)
      Ritter Marc K.、N. F. Yuriel、Wallerberger Markus、von Delft Jan、Shinaoka Hiroshi、Waintal Xavier
    • Journal Title

      Physical Review Letters

      Volume: 132 Pages: 056501-1~6

    • DOI

      10.1103/PhysRevLett.132.056501

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] High-throughput calculations of antiferromagnets hosting anomalous transport phenomena2024

    • Author(s)
      Nomoto Takuya、Minami Susumu、Yanagi Yuki、Suzuki Michi-To、Koretsune Takashi、Arita Ryotaro
    • Journal Title

      Physical Review B

      Volume: 109 Pages: 094435-1~12

    • DOI

      10.1103/PhysRevB.109.094435

    • Peer Reviewed
  • [Journal Article] X-ray Magnetic Circular Dichroism Arising from the Magnetic Dipole Moment in Antiferromagnets2024

    • Author(s)
      Kurita Kensuke、Koretsune Takashi
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 93 Pages: 024705-1~7

    • DOI

      10.7566/JPSJ.93.024705

    • Peer Reviewed
  • [Journal Article] X-ray magnetic circular dichroism in RuO22024

    • Author(s)
      Hariki A.、Takahashi Y.、Kunes J.
    • Journal Title

      Physical Review B

      Volume: 109 Pages: 094413-1~7

    • DOI

      10.1103/PhysRevB.109.094413

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Multiscale Space-Time Ansatz for Correlation Functions of Quantum Systems Based on Quantics Tensor Trains2023

    • Author(s)
      Shinaoka Hiroshi、Wallerberger Markus、Murakami Yuta、Nogaki Kosuke、Sakurai Rihito、Werner Philipp、Kauch Anna
    • Journal Title

      Physical Review X

      Volume: 13 Pages: 021015-1~27

    • DOI

      10.1103/PhysRevX.13.021015

    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Material-based analysis of spin-orbital Mott insulators2023

    • Author(s)
      Iwazaki Ryuta、Shinaoka Hiroshi、Hoshino Shintaro
    • Journal Title

      Physical Review B

      Volume: 108 Pages: L241108-1~7

    • DOI

      10.1103/PhysRevB.108.L241108

    • Peer Reviewed
  • [Journal Article] Hidden covalent insulator and spin excitations in SrRu2O62023

    • Author(s)
      Csontosova Diana、Chaloupka J.、Shinaoka Hiroshi、Hariki Atsushi、Kune? Jan
    • Journal Title

      Physical Review B

      Volume: 108 Pages: L241108-1~7

    • DOI

      10.1103/physrevb.108.195137

    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Interface tool from Wannier90 to RESPACK: wan2respack2023

    • Author(s)
      Kurita Kensuke、Misawa Takahiro、Yoshimi Kazuyoshi、Ido Kota、Koretsune Takashi
    • Journal Title

      Computer Physics Communications

      Volume: 292 Pages: 108854~108854

    • DOI

      10.1016/j.cpc.2023.108854

    • Peer Reviewed / Open Access
  • [Journal Article] Magnetic fluctuations in Pb 9 Cu ( PO 4 ) 6 O2023

    • Author(s)
      Shimizu Makoto、Otsuki Junya、Jeschke Harald O.
    • Journal Title

      Physical Review B

      Volume: 108 Pages: L201105-1~6

    • DOI

      10.1103/PhysRevB.108.L201105

    • Peer Reviewed
  • [Journal Article] Pressure evolution of electronic structure and magnetism in the layered van der Waals ferromagnet CrGeTe32023

    • Author(s)
      Xu Han-Xiang、Shimizu Makoto、Guterding Daniel、Otsuki Junya、Jeschke Harald O.
    • Journal Title

      Physical Review B

      Volume: 108 Pages: 125142-1~13

    • DOI

      10.1103/PhysRevB.108.125142

    • Peer Reviewed
  • [Journal Article] Importance of self-consistency in first-principles Eliashberg calculation for superconducting transition temperature2023

    • Author(s)
      Wang Tianchun、Nomoto Takuya、Koretsune Takashi、Arita Ryotaro
    • Journal Title

      Journal of Physics and Chemistry of Solids

      Volume: 178 Pages: 111348~111348

    • DOI

      10.1016/j.jpcs.2023.111348

    • Peer Reviewed
  • [Journal Article] Modulation-doping a correlated electron insulator2023

    • Author(s)
      Mondal Debasish、Mahapatra Smruti Rekha、Derrico Abigail M.、Rai Rajeev Kumar、Paudel Jay R.、Schlueter Christoph、Gloskovskii Andrei、Banerjee Rajdeep、Hariki Atsushi、DeGroot Frank M. F.、Sarma D. D.、Narayan Awadhesh、Nukala Pavan、Gray Alexander X.、Aetukuri Naga Phani B.
    • Journal Title

      Nature Communications

      Volume: 14 Pages: 6210-1~11

    • DOI

      10.1038/s41467-023-41816-3

    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Observation of temperature-dependent Fermi surface evolution at the valence transition ofYbInCu42023

    • Author(s)
      Anzai Hiroaki、Hariki Atsushi、Sato Hitoshi、Arita Masashi、Zhuang Tao、Hiraoka Koichi
    • Journal Title

      Physical Review B

      Volume: 108 Pages: 075116-1 ~8

    • DOI

      10.1103/PhysRevB.108.075116

    • Peer Reviewed
  • [Journal Article] Electronic structure of ACu3Co4O12 (A = Y, La, Bi): Synthesis, characterization, core-level spectroscopies, high-pressure application, and ab initio calculation2023

    • Author(s)
      Kato Yuta、Huang Meng-Jie、Kasebayashi Keito、Kawakami Takateru、Yamaguchi Tatsuya、Buck Jens、Wang Ru-Pan、K. Matthias、Rossnagel Kai、Nagel Peter、Schuppler Stefan、Takahashi Yoshihiro、Odake Takao、Kawaguchi Shogo、Yamada Ikuya、Hariki Atsushi
    • Journal Title

      Physical Review Materials

      Volume: 7 Pages: 073401-1~12

    • DOI

      10.1103/PhysRevMaterials.7.073401

    • Peer Reviewed / Int'l Joint Research

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Published: 2024-12-25  

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