Yun Kyung Shin

    • 831 Citations
    • 12 h-Index
    20102019
    If you made any changes in Pure, your changes will be visible here soon.

    Fingerprint Dive into the research topics where Yun Kyung Shin is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

    field theory (physics) Physics & Astronomy
    Molecular dynamics Chemical Compounds
    molecular dynamics Physics & Astronomy
    Silicon Dioxide Chemical Compounds
    Biomolecules Chemical Compounds
    Water Chemical Compounds
    Surface segregation Chemical Compounds
    Silica Engineering & Materials Science

    Network Recent external collaboration on country level. Dive into details by clicking on the dots.

    Research Output 2010 2019

    • 831 Citations
    • 12 h-Index
    • 24 Article
    • 3 Conference contribution
    • 2 Review article

    A ReaxFF molecular dynamics study of molecular-level interactions during binder jetting 3D-printing

    Gao, Y., Kyung Shin, Y., Martinez, D., Manogharan, G. & Van Duin, A., Jan 1 2019, In : Physical Chemistry Chemical Physics. 21, 38, p. 21517-21529 13 p.

    Research output: Contribution to journalArticle

    printing
    Binders
    Molecular dynamics
    Printing
    glycols
    2 Citations (Scopus)

    Development of the ReaxFF Methodology for Electrolyte-Water Systems

    Fedkin, M. V., Shin, Y. K., Dasgupta, N., Yeon, J., Zhang, W., Van Duin, D., Van Duin, A. C. T., Mori, K., Fujiwara, A., Machida, M., Nakamura, H. & Okumura, M., Mar 14 2019, In : Journal of Physical Chemistry A. 123, 10, p. 2125-2141 17 p.

    Research output: Contribution to journalArticle

    Electrolytes
    field theory (physics)
    electrolytes
    methodology
    Water
    1 Citation (Scopus)

    Statistical Analysis of Tri-Cresyl Phosphate Conversion on an Iron Oxide Surface Using Reactive Molecular Dynamics Simulations

    Khajeh, A., Hu, X., Mohammadtabar, K., Kyung Shin, Y., Van Duin, A., Berkebile, S. & Martini, A., May 23 2019, In : Journal of Physical Chemistry C. 123, 20, p. 12886-12893 8 p.

    Research output: Contribution to journalArticle

    Iron oxides
    iron oxides
    statistical analysis
    Molecular dynamics
    Statistical methods
    2 Citations (Scopus)

    Development of a ReaxFF reactive force field for lithium ion conducting solid electrolyte Li1+: xAlxTi2- x(PO4)3 (LATP)

    Shin, Y. K., Sengul, M. Y., Jonayat, A. S. M., Lee, W., Gomez, E. D., Randall, C. A. & Van Duin, A. C. T., Jan 1 2018, In : Physical Chemistry Chemical Physics. 20, 34, p. 22134-22147 14 p.

    Research output: Contribution to journalArticle

    Solid electrolytes
    solid electrolytes
    Ionic conductivity
    Lithium
    ion currents
    3 Citations (Scopus)

    Enabling Computational Design of ZIFs Using ReaxFF

    Yang, Y., Kyung Shin, Y., Li, S., Bennett, T. D., Van Duin, A. & Mauro, J., Oct 18 2018, In : Journal of Physical Chemistry B. 122, 41, p. 9616-9624 9 p.

    Research output: Contribution to journalArticle

    Chemical stability
    Glass
    field theory (physics)
    glass
    Defects