湯 星宇

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湯 星宇
博士研究員
関連ウェブサイト
連絡先

xingyu.tang atmark icredd.hokudai.ac.jp

アレクサンドル・ヴァーネック グループ
主任研究者
教員
博士研究員

研究紹介

研究テーマ

Theoretical and computational chemistry

キーワード

Reaction Mechanism, Organic Chemistry, High Pressure, Machine Learning Force Field

経歴

My previous research focused on the mechanistic analysis of reactions in organic systems under high pressure using theoretical and computational approaches to better design reactions for ordered solid-state materials. At ICReDD, I will focus on a new approach in mechanism analysis and reaction design using the NNP-AFIR method.

代表的な研究成果

  • Triggering dynamics of acetylene topochemical polymerization
    X. Tang, X. Dong, C. Zhang, K. Li, H. Zheng, H. Mao, Matter Radiat. Extremes, 2023, 8, 058402
    DOI: 10.1063/5.0151609

  • Crystalline C3N3H3 tube (3,0) nano threads
    D. Gao, X. Tang, et al., Proc. Nat. Acad. Sci., 2022, 119, e2201165119
    DOI: 10.1073/pnas.2201165119

  • Pressure-Induced Hydrogen Transfer in 2-Butyne via a Double CH···π Aromatic Transition State
    P. Zhang, X. Tang, et al, J. Phys. Chem. Lett. 2022, 13, 4170–4175
    DOI: 10.1021/acs.jpclett.2c00877