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Staub Ruben Morgan Adrien  STAUB RUBEN・MORGAN・ADRIEN

ORCIDConnect your ORCID iD *help
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STAUB RUBEN・MORGAN・ADRIEN  ストウブ ルーベン・モーガン・アドリアン

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Researcher Number 20940274
Other IDs
Affiliation (Current) 2025: 北海道大学, 化学反応創成研究拠点 , 特任助教
Affiliation (based on the past Project Information) *help 2023 – 2024: 北海道大学, 化学反応創成研究拠点, 特任助教
Review Section/Research Field
Principal Investigator
Basic Section 32010:Fundamental physical chemistry-related
Except Principal Investigator
Transformative Research Areas, Section (II)
Keywords
Principal Investigator
Reaction path network / MLFF / Reaction Design / NNP / Kinetics simulation / Theoretical Chemistry / Artificial Intelligence / Machine Learning / Reaction Path Search / NN Potentials … More
Except Principal Investigator
… More 量子化学計算 / 機械学習 / 反応経路探索 / 化学空間 Less
  • Research Projects

    (2 results)
  • Research Products

    (6 results)
  • Co-Researchers

    (1 People)
  •  量子化学計算と無輻射失活経路探索が操舵する巨大化学空間探索

    • Principal Investigator
      原渕 祐
    • Project Period (FY)
      2023 – 2025
    • Research Category
      Grant-in-Aid for Transformative Research Areas (B)
    • Review Section
      Transformative Research Areas, Section (II)
    • Research Institution
      Hokkaido University
  •  Accelerating AFIR reaction path search using Neural Network PotentialsPrincipal Investigator

    • Principal Investigator
      STAUB RUBEN・MORGAN・ADRIEN
    • Project Period (FY)
      2023 – 2025
    • Research Category
      Grant-in-Aid for Early-Career Scientists
    • Review Section
      Basic Section 32010:Fundamental physical chemistry-related
    • Research Institution
      Hokkaido University

All 2024 2023

All Journal Article Presentation

  • [Journal Article] Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson’s Catalyst Case2023

    • Author(s)
      Staub Ruben、Gantzer Philippe、Harabuchi Yu、Maeda Satoshi、Varnek Alexandre
    • Journal Title

      Molecules

      Volume: 28 Issue: 11 Pages: 4477-4477

    • DOI

      10.3390/molecules28114477

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-22K19002, KAKENHI-PROJECT-23K13702
  • [Presentation] Accelerating Reaction Path Search using Neural Network Potentials2024

    • Author(s)
      Ruben STAUB, Alexandre VARNEK
    • Organizer
      7th ICReDD International Symphosium
    • Invited
    • Data Source
      KAKENHI-PROJECT-23K13702
  • [Presentation] Accelerating Artificial Force Induced Reaction Path Search using Neural Network Potentials2023

    • Author(s)
      Ruben STAUB, Philippe GANTZER, Yu HARABUCHI, Satoshi MAEDA, Alexandre VARNEK
    • Organizer
      8th Autumn School of Chemoinformatics in Nara
    • Data Source
      KAKENHI-PROJECT-23K13702
  • [Presentation] Accelerating Artificial Force Induced Reaction Path Search using Neural Network Potentials2023

    • Author(s)
      Ruben STAUB, Philippe GANTZER, Yu HARABUCHI, Satoshi MAEDA, Alexandre VARNEK
    • Organizer
      9th Hokkaido University Cross-Departmental Symposium
    • Data Source
      KAKENHI-PROJECT-23K13702
  • [Presentation] Accelerating Artificial Force Induced Reaction Path Search using Neural Network Potentials2023

    • Author(s)
      Ruben STAUB, Philippe GANTZER, Yu HARABUCHI, Satoshi MAEDA, Alexandre VARNEK
    • Organizer
      6th ICReDD International Symphosium
    • Data Source
      KAKENHI-PROJECT-23K13702
  • [Presentation] Accelerating Artificial Force Induced Reaction Path Search using Neural Network Potentials2023

    • Author(s)
      Ruben STAUB, Alexandre VARNEK
    • Organizer
      5th conference of Theory and Applications of Computational Chemistry (TACC)
    • Data Source
      KAKENHI-PROJECT-23K13702
  • 1.  原渕 祐 (60727204)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 1 results

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