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    1-2 of 2
    Karen Fidanyan
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    Journal Articles

    i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

    FeaturedScilightOpen Access
    Yair Litman, Venkat Kapil, Yotam M. Y. Feldman, Davide Tisi, Tomislav Begušić, Karen Fidanyan, Guillaume Fraux, Jacob Higer, Matthias Kellner, Tao E. Li, Eszter S. Pós, Elia Stocco, George Trenins, Barak Hirshberg, Mariana Rossi, Michele Ceriotti
    Journal: The Journal of Chemical Physics
    J. Chem. Phys. 161, 062504 (2024)
    https://doi.org/10.1063/5.0215869
    Published: August 2024
    Abstract
    View articletitled, i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations
    Open the PDF for i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations in another window
    Journal Articles

    Ab initio study of water dissociation on a charged Pd(111) surface

    Editor’s PickOpen Access
    Karen Fidanyan, Guoyuan Liu, Mariana Rossi
    Journal: The Journal of Chemical Physics
    J. Chem. Phys. 158, 094707 (2023)
    https://doi.org/10.1063/5.0139082
    Published: March 2023
    Abstract
    View articletitled, Ab initio study of water dissociation on a charged Pd(111) surface
    Open the PDF for Ab initio study of water dissociation on a charged Pd(111) surface in another window
    Includes: Supplementary data

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