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Buerkle Marius  Buerkle Marius

ORCIDConnect your ORCID iD *help
Researcher Number 00756661
Affiliation (Current) 2022: 国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員
Affiliation (based on the past Project Information) *help 2020 – 2021: 国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員
2017: 国立研究開発法人産業技術総合研究所, 機能材料コンピュテーショナルデザイン研究センター, 主任研究員
2016: 国立研究開発法人産業技術総合研究所, 材料・化学領域 機能材料コンピュテーショナルデ ザイン研究センター, 研究員
2016: 国立研究開発法人産業技術総合研究所, 機能材料コンピュテーショナルデザイン研究センタ, 研究員
2015 – 2016: 国立研究開発法人産業技術総合研究所, 機能材料コンピュテーショナルデザイン研究センター, 研究員
2015: 国立研究開発法人産業技術総合研究所, 材料・化学領域 機能材料コンピュテーショナルデザイン研究センター, 研究員
Review Section/Research Field
Principal Investigator
Computational science / Basic Section 28030:Nanomaterials-related
Except Principal Investigator
Science and Engineering
Keywords
Principal Investigator
DFT / Device simulations / Green's functions / Quantum transport / Device Simulations / ま行 / thermoelectrics / dft / negf / Nanocrystals … More / machine learning / AI / solarcells / nanopartilces / luminasence / Machine learning / Deep learning / Materials informatiocs / bioimaging … More
Except Principal Investigator
非平衡量子伝導理論 / 第一原理計算 / 分子エレクトロニクス / ナノエレクトロニクス / 非平衡伝導理論 / 非線形電気伝導 / 電流ノイズ / 単分子のネットワーク化 / ナノスケールでの熱輸送 / 不揮発性メモリ / 物性理論 / 量子揺らぎ / 単一分子 / 分子ネットワーク / 弾性・非弾性散乱効果 / 計数統計理論 / 電子相関効果、強相関効果 / 原子スウィッチメモリ / マルチスケール理論 / 電子・フォノン散乱 / ランダム・テレグラム・ノイズ / 電荷トラップ、デトラップ機構 / 抵抗変化型メモリ / メモリスタ / バッッファー層 / ショット・ノイズ / 熱雑音 / 非弾性散乱効果 / 電子・フォノン結合 / 抵抗変化型RAM / 電子・フォノン散乱効果 / 非平衡フォノン効果 / 完全粒子統計理論 / ショットノイズ / 熱ノイズ Less
  • Research Projects

    (3 results)
  • Research Products

    (22 results)
  • Co-Researchers

    (6 People)
  •  Screening of environmentally friendly quantum-nanocrystals for energy and bioimaging applications by combining experiment and theory with machine learningPrincipal Investigator

    • Principal Investigator
      Buerkle Marius
    • Project Period (FY)
      2020 – 2024
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 28030:Nanomaterials-related
    • Research Institution
      National Institute of Advanced Industrial Science and Technology
  •  First-principle device simulationPrincipal Investigator

    • Principal Investigator
      Buerkle Marius
    • Project Period (FY)
      2015 – 2016
    • Research Category
      Grant-in-Aid for Research Activity Start-up
    • Research Field
      Computational science
    • Research Institution
      National Institute of Advanced Industrial Science and Technology
  •  Non-equilibrium quantum transport theory for current and noise of single molecules and organized molecular networks

    • Principal Investigator
      ASAI Yoshihiro
    • Project Period (FY)
      2013 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      National Institute of Advanced Industrial Science and Technology

All 2021 2017 2016 2015 2014 2013 Other

All Journal Article Presentation Book

  • [Book] Materials for Energy Infrastructure(Chapter contribution)2015

    • Author(s)
      Marius Buerkle; Fabian Pauly; Yoshihiro Asai
    • Total Pages
      5
    • Publisher
      Springer
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Journal Article] (Invited) Electronic and Optical Properties of Quantum-Confined Nanoparticles2021

    • Author(s)
      Marius Buerkle
    • Journal Title

      ECS Transactions: Quantum Dot Science and Technology

      Volume: 102 Pages: 1-1

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-20H02579
  • [Journal Article] Bandgap Engineering in OH-Functionalized Silicon Nanocrystals: Interplay between Surface Functionalization and Quantum Confinement2017

    • Author(s)
      Buerkle Marius、Lozac'h Mickael、McDonald Calum、Mariotti Davide、Matsubara Koji、Svrek Vladimir
    • Journal Title

      Advanced Functional Materials

      Volume: 27 Pages: 1701898-1701898

    • DOI

      10.1002/adfm.201701898

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Journal Article] The Orbital Selection Rule for Molecular Conductance as Manifested in Tetraphenyl-Based Molecular Junctions2017

    • Author(s)
      Marius Buerkle; Limin Xiang; Guangfeng Li; Ali Rostamian; Thomas Hines; Shaoyin Guo; Gang Zhou; Nongjian Tao; Yoshihiro Asai
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 139 Pages: 2989-2989

    • DOI

      10.1021/jacs.6b10837

    • Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009, KAKENHI-PROJECT-15H06889
  • [Journal Article] Thermal conductance of Teflon and Polyethylene: Insight from an atomistic, single-molecule level2017

    • Author(s)
      Marius Buerkle; Yoshihiro Asai
    • Journal Title

      Sci. Rep.

      Volume: 7 Pages: 41898-41898

    • DOI

      10.1038/srep41898

    • Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009, KAKENHI-PROJECT-15H06889
  • [Journal Article] Thermoelectricity at the Molecular Scale: Large Seebeck Effect in Endohedral Metallofullerenes2015

    • Author(s)
      See Kei Lee, Marius Buerkle, Ryo Yamada, Yoshihiro Asai, and Hirokazu Tada
    • Journal Title

      Nanoscale

      Volume: 7 Pages: 20497-20497

    • DOI

      10.1039/c5nr05394c

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110012, KAKENHI-PROJECT-15H06889, KAKENHI-PROJECT-25620058, KAKENHI-PLANNED-25110009
  • [Journal Article] Towards multiple conductance pathways with heterocycle-based oligo(phenyleneethynylene) derivatives2015

    • Author(s)
      Delia Miguel; Luis Alvarez de Cienfuegos; Ana Martin-Lasanta; Sara P. Morcillo; Linda A. Zotti; Edmund Leary; Marius Buerkle; Yoshihiro Asai; Rocio Jurado; Diego J. Cardenas; Gabino Rubio-Bollinger; Nicolas Agrait; Juan M. Cuerva; M. Teresa Gonzalez
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 137 Pages: 13818-13826

    • DOI

      10.1021/jacs.5b05637

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Journal Article] Single-molecule conductance of a chemically modified, π-extended tetrathiafulvalene and its charge-transfer complex with F4TCN2015

    • Author(s)
      Raul Garcia; M. Angeles Herranz; Edmund Leary; M. Teresa Gonzalez; Gabino Rubio Bollinger; Marius Buerkle; Linda A. Zotti; Yoshihiro Asai; Fabian Pauly; Juan Carlos Cuevas; Nicolas Agrait; Nazario Martin
    • Journal Title

      Beilstein J. Org. Chem.

      Volume: 11 Pages: 1068-1078

    • DOI

      10.3762/bjoc.11.120

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Journal Article] First-principles calculation of the thermoelectric figure of merit for [2,2] paracyclophane-based single-molecule junctions2015

    • Author(s)
      Marius Buerkle, Thomas J. Hellmuth, Fabian Pauly, and Yoshihiro Asai
    • Journal Title

      Phys. Rev. B

      Volume: 91 Pages: 165419-165419

    • DOI

      10.1103/physrevb.91.165419

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-12F02501, KAKENHI-PROJECT-15H06889, KAKENHI-PLANNED-25110009
  • [Journal Article] Heat dissipation and its relation to thermopower in single-molecule junctions2014

    • Author(s)
      L. A. Zotti, M. Bürkle, F. Pauly, W. Lee, K. Kim, W. Jeong, Y. Asai, P. Reddy, and J. C. Cuevas.
    • Journal Title

      New Journal of Physics

      Volume: 16

    • DOI

      10.1088/1367-2630/16/1/015004

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-12F02501, KAKENHI-PLANNED-25110009
  • [Presentation] Electronic and Optical Properties of Quantum-Confined Nanoparticles2021

    • Author(s)
      Marius Buerkle
    • Organizer
      239th ECS Meeting
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-20H02579
  • [Presentation] Electron phonon interactions from DFPT - Application to single molecule junctions2017

    • Author(s)
      Marius Buerkle
    • Organizer
      Recent Developments in Post-DFT Quantum Chemistry
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Presentation] Thermal conductance of Teflon and Polyethylene: Insight from an atomistic, single-molecule level2017

    • Author(s)
      Marius Buerkle
    • Organizer
      DPG 2017
    • Place of Presentation
      Dresden, Germany
    • Year and Date
      2017-04-19
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H06889
  • [Presentation] Thermal conductance of Teflon and Polyethylene2017

    • Author(s)
      Marius Buerkle; Yoshihiro Asai
    • Organizer
      DPG (Deutsche Physikalische Gesellschaft: German Physics Society) meeting
    • Place of Presentation
      Dresden (Germany)
    • Year and Date
      2017-03-22
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Presentation] Computational modeling of nanoscale systems2017

    • Author(s)
      Marius Buerkle
    • Organizer
      Single-Molecule Science and Technology (ドイツ研究振興協会 DPG スポンサー会議)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Presentation] First-principles calculation of the thermoelectric figure of merit for [2,2]paracyclophane-based single-molecule junctions2016

    • Author(s)
      M. Buerkle
    • Organizer
      DPG 2016
    • Place of Presentation
      Regensburg (Germany)
    • Year and Date
      2016-01-06
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H06889
  • [Presentation] First-principles calculations of thermoelectric figure of merit for [2,2] paracyclophane-based single-molecular junctions2016

    • Author(s)
      Marius Buerkle, Fabian Pauly, 浅井美博
    • Organizer
      DPG Spring Meeting 2016
    • Place of Presentation
      Regensburg, Germany
    • Year and Date
      2016-03-10
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Presentation] First-principle study of thermoelectric transport through single molecule junctions2015

    • Author(s)
      Marius Buerkle
    • Organizer
      環太平洋国際化学会議2015(Pacifichem 2015)
    • Place of Presentation
      Waikiki-Hawaii, U.S.A.
    • Year and Date
      2015-12-15
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Presentation] First-principles calculation of the thermoelectric figure of merit for [2,2]paracyclophane-based single-molecule junctions2015

    • Author(s)
      Marius Buerkle, Thomas J. Hellmuth, Fabian Pauly、浅井美博
    • Organizer
      International Workshop on Molecular Architectonics
    • Place of Presentation
      知床グランドホテル北こぶし(斜里町)
    • Year and Date
      2015-08-05
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Presentation] Conductance and thermopower of C82 and endohedral mettalofullerene molecular junction with Au electrode2015

    • Author(s)
      Marius Buerkle, See Kei Lee, 山田亮、夛田博一、浅井美博
    • Organizer
      The German Physical Society (DPG) Spring Meeting
    • Place of Presentation
      Berlin, Germany
    • Year and Date
      2015-03-20
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Presentation] Heat Dissipation and Thermoelectric Transport in Single Molecule Devices2013

    • Author(s)
      M. Buerkle and Y. Asai,
    • Organizer
      日本学術振興会 産学協力研究委員会 第 181委員会
    • Place of Presentation
      つくば
    • Year and Date
      2013-08-11
    • Data Source
      KAKENHI-PLANNED-25110009
  • [Presentation] Thermoelectric transport in single molecule junctions

    • Author(s)
      M. Buerkle and Y. Asai,
    • Organizer
      APS March Meeting 2014
    • Place of Presentation
      Denver, USA
    • Year and Date
      2014-03-03 – 2014-03-07
    • Data Source
      KAKENHI-PLANNED-25110009
  • 1.  ASAI Yoshihiro (20192461)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 14 results
  • 2.  中村 恒夫 (30345095)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 3.  宮崎 剛英 (10212242)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 4.  Svrcek Vladimir (80462828)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 5.  山田 亮
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results
  • 6.  多田 博一
    # of Collaborated Projects: 0 results
    # of Collaborated Products: 1 results

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