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Theoretical Challenge in Astrobiology by Computational Science

Research Project

Project/Area Number 16K13782
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Astronomy
Research InstitutionThe University of Tokyo (2017-2018)
University of Tsukuba (2016)

Principal Investigator

Aikawa Yuri  東京大学, 大学院理学系研究科(理学部), 教授 (40324909)

Co-Investigator(Kenkyū-buntansha) 庄司 光男  筑波大学, 計算科学研究センター, 助教 (00593550)
古家 健次  筑波大学, 計算科学研究センター, 助教 (80783711)
Project Period (FY) 2016-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
Fiscal Year 2018: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2017: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2016: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Keywords量子化学計算 / アストロケミストリー / 惑星系形成 / 星間化学 / アストロバイオロジー / 第一原理計算 / 理論天文学 / 惑星起源・進化 / 計算物理 / 化学物理
Outline of Final Research Achievements

Reaction processes in various environments from molecular clouds to the primordial earth have been proposed for the generation of prebiotic molecules. In order to quantitatively evaluate what kind of environment and process is most effective, elucidation of reaction path and rate is essential. As a pilot study, we perform ab-initio calculations to evaluate the activation barrier and branching ratio of reactions relevant to the formation and destruction of organic molecules, including glycine. These elementary reactions are incorporated into rate equations to construct a numerical model of the reaction system in the star and planetary system formation.

Academic Significance and Societal Importance of the Research Achievements

生命の材料物質となる有機物はどのように作られ、原始地球上にどれくらい存在したのだろうか?これにはさまざまな説がある。天文学に最も関連深いのは、星間分子として生成された有機分子が彗星に取り込まれ地球にもたらされたとする星間物質起源説であろう。近年、若い太陽に相当する原始星の周囲でギ酸などさまざまな有機分子が検出されている。本研究では、生命関連分子の代表ともいえるグリシンの生成過程について2つの代表的な生成反応を選び、量子化学計算によってそれらの反応のメカニズムと反応の起きる条件を調べた。またさまざまな反応を取り込んだ数値シミュレーションで若い星の周りでの有機分子の生成について調べた。

Report

(4 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • 2016 Research-status Report
  • Research Products

    (36 results)

All 2019 2018 2017 2016 Other

All Int'l Joint Research (2 results) Journal Article (6 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 6 results,  Open Access: 4 results) Presentation (27 results) (of which Int'l Joint Research: 17 results,  Invited: 8 results) Remarks (1 results)

  • [Int'l Joint Research] Xinjiang Astronomical Observatory(中国)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Kyung Hee University(韓国)

    • Related Report
      2018 Annual Research Report
  • [Journal Article] Theoretical study of the photodissociation reaction of methanol2019

    • Author(s)
      Kayanuma Megumi、Shoji Mitsuo、Furuya Kenji、Aikawa Yuri、Umemura Masayuki、Shigeta Yasuteru
    • Journal Title

      Chemical Physics Letters

      Volume: 714 Pages: 137-142

    • DOI

      10.1016/j.cplett.2018.10.077

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] The ice composition in the disk around V883 Ori revealed by its stellar outburst2019

    • Author(s)
      Lee Jeong-Eun、Lee Seokho、Baek Giseon、Aikawa Yuri、Cieza Lucas、Yoon Sung-Yong、Herczeg Gregory、Johnstone Doug、Casassus Simon
    • Journal Title

      Nature Astronomy

      Volume: 3 Issue: 4 Pages: 314-319

    • DOI

      10.1038/s41550-018-0680-0

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] The Chemical Evolution from Prestellar to Protostellar Cores: A New Multiphase Model with Bulk Diffusion and Photon Penetration2018

    • Author(s)
      Lu Yang、Chang Qiang、Aikawa Yuri
    • Journal Title

      The Astrophysical Journal

      Volume: 869 Issue: 2 Pages: 165-165

    • DOI

      10.3847/1538-4357/aaeed8

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] A practical approach for searching stable molecular structures by introducing repulsive interactions among walkers2018

    • Author(s)
      M.Shoji, M.Kayanuma, Y.Shigeta
    • Journal Title

      The Bulletin of the Chemical Society of Japan

      Volume: 191(10) Issue: 10 Pages: 1465-1473

    • DOI

      10.1246/bcsj.20180122

    • NAID

      130007498133

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-principles study of the formation of glycine-producing radicals from common interstellar species2018

    • Author(s)
      Sato, A., Kitazawa, Y., Ochi, T., Shoji, M., Komatsu, Y., Kayanuma, M., Aikawa, Y., Umemura, M., Shigeta, Y.
    • Journal Title

      Molecular Astrophysics

      Volume: 10 Pages: 11-19

    • DOI

      10.1016/j.molap.2018.01.002

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] A theoretical study of the formation of glycine via hydantoin intermediate in outer space environment2017

    • Author(s)
      Kayanuma, M., Kidachi, K., Shoji, M., Komatsu, Y., Sato, A., Shigeta, Y., Aikawa, Y., Umemura, M.
    • Journal Title

      Chemical Physics Letters

      Volume: 687 Pages: 178-183

    • DOI

      10.1016/j.cplett.2017.09.016

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] Glycine Formation Reactions via Non-Radical and Radical Processes in Interstellar Medium2019

    • Author(s)
      Mitsuo Shoji
    • Organizer
      LIFE3E’2019: SEARCH FOR LIFE, FROM EARLY EARTH TO EXOPLANETS
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 分子雲から円盤への水の進化2019

    • Author(s)
      古家健次
    • Organizer
      アストロバイオロジーセンターシンポジウム2019
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] 原始星コアの分子組成の多様性:分子雲段階の物理パラメタへの依存性2019

    • Author(s)
      相川祐理
    • Organizer
      日本天文学会春季年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Gas-Dust Chemistry of Volatiles in the Star and Planetary System Formation2019

    • Author(s)
      Yuri Aikawa
    • Organizer
      IAU Symposium 350 Laboratory Astrophysics: From Observations to Interpretation
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Chemistry of volatiles from molecular cloud formation to protostellar cores2019

    • Author(s)
      Yuri Aikawa
    • Organizer
      Gordon Research Conference on Origins of Solar Systems
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 分子構造探索および反応経路探索のための新手法(GLAS 法)の提唱2018

    • Author(s)
      庄司光男、常盤恭樹、山崎笙太朗、栢沼愛、重田育照
    • Organizer
      第21回理論化学討論会
    • Related Report
      2018 Annual Research Report
  • [Presentation] A new approach for searching stable molecular structures by introducing repulsive interactions among walkers2018

    • Author(s)
      M.Shoji, M.Kayanuma, H.Kitoh-Nishioka, Y.Shigeta
    • Organizer
      7th JCS Symposium
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] A new algorithm searching stable molecular structures and reaction pathways by introducing repulsive interactions among walkers2018

    • Author(s)
      M.Shoji, M.Kayanuma, Y.Shigeta
    • Organizer
      16TH INTERNATIONAL CONGRESS OF QUANTUM CHEMISTRY
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] A new approach for searching reaction pathways applicable to quantum mechanical calculations2018

    • Author(s)
      Mitsuo Shoji
    • Organizer
      CCS-EPCC Joint Workshop
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Isotopic fractionation in interstellar clouds: Hydrogen, carbon, nitrogen, and oxygen2018

    • Author(s)
      Kenji Furuya
    • Organizer
      Workshop on Interstellar Matter 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Chemistry in star and planet forming regions: Theory2018

    • Author(s)
      Yuri Aikawa
    • Organizer
      East Asian ALMA Science Workshop 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Multiple paths of deuterium fractionation in protoplanetary disks2018

    • Author(s)
      Yuri Aikawa
    • Organizer
      Astrochemistry: Past, Present, and Future
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Organic Chemistry in Protoplanetary Disks2018

    • Author(s)
      Yuri Aikawa
    • Organizer
      Session F.3, COSPAR
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Volatiles from Prestellar Phase to Protoplanetary Disks2018

    • Author(s)
      Yuri Aikawa
    • Organizer
      Session B.1, COSPAR
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Chemistry in Protostellar Cores and Forming Disks2018

    • Author(s)
      Yuri Aikawa
    • Organizer
      Division Day, IAU General Assembly
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Chemistry in Star Forming Cores: what is the key parameters for hot corinos and WCCC?2018

    • Author(s)
      Yuri Aikawa
    • Organizer
      Workshop on Interstellar Matter 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Fresh sublimates detected in a disk in outburst2018

    • Author(s)
      Yuri Aikawa
    • Organizer
      Workshop on Interstellar Matter 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 原始惑星系円盤における複数の重水素濃縮経路2018

    • Author(s)
      相川祐理
    • Organizer
      日本地球惑星科学連合2018年大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] FU Ori 型星で探る円盤の氷組成2018

    • Author(s)
      相川祐理
    • Organizer
      日本地球惑星科学連合2018年大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] A quantum chemical study of the glycine formation reactions in interstellar medium2017

    • Author(s)
      Shoji, M.
    • Organizer
      アストロバイオロジーセンター国際ワークショップ2017
    • Place of Presentation
      広島大学
    • Year and Date
      2017-03-21
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Theoretical study on the photodissociation of methanol in the interstellar medium2017

    • Author(s)
      Kayanuma, M., Shoji, M., Aikawa, Y., Umemura, M., Shigeta, Y.
    • Organizer
      28th International Conference on Photochemistry (ICP2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Astrochemical simulations2017

    • Author(s)
      古家健次
    • Organizer
      宇宙生命計算科学連携拠点 第3回ワークショップ
    • Related Report
      2017 Research-status Report
  • [Presentation] 星間空間におけるアミノ酸生成と光不斉化についての量子化学的探究2017

    • Author(s)
      庄司光男
    • Organizer
      天体形成論 ~過去・現在・未来~
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] 生命起源解明のためのアミノ酸生成と分解機構についての量子化学研究2017

    • Author(s)
      庄司光男
    • Organizer
      ポスト「京」 萌芽的課題・計算惑星第 1 回公開シンポジウム:惑星の起源・進化と環境変動の解明を目指して
    • Place of Presentation
      神戸大学
    • Related Report
      2016 Research-status Report
  • [Presentation] The formation of interstellar glycine by radical-coupling reactions2016

    • Author(s)
      Akimasa Sato, Mitsuo Shoji, Yuya Kitazawa, Toshiro Ochi, Masayuki Umemura, Yasuteru Shigeta
    • Organizer
      AWEST 2016
    • Place of Presentation
      淡路夢舞台国際会議場
    • Year and Date
      2016-06-19
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 星間ダスト上でのアミノ酸生成反応機構についての理論的研究2016

    • Author(s)
      庄司光男
    • Organizer
      宇宙生命計算科学連携拠点第2回ワークショップ
    • Place of Presentation
      筑波大学計算科学研究センター
    • Related Report
      2016 Research-status Report
  • [Presentation] 惑星系形成領域の有機物進化2016

    • Author(s)
      相川祐理
    • Organizer
      日本地球惑星科学連合2016年大会/計算科学による惑星形成・進化・環境変動研究の新展開
    • Place of Presentation
      幕張メッセ
    • Related Report
      2016 Research-status Report
  • [Remarks] ALMAプレスリリース

    • URL

      https://alma-telescope.jp/en/news/press/v883-201902

    • Related Report
      2018 Annual Research Report

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Published: 2016-04-21   Modified: 2020-03-30  

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