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Showing 1 to 1 of 1 for “"path integral molecular dynamics"”.

  1. The Role of Nuclear Quantum Effects in Supercooled Water and Amorphous Ice

    Eltareb, Ali HThe Graduate School and University Center of The City University of New York2023

    … glassy water have been performed using classical molecular dynamics simulations where nuclear quantum effects (NQE) are neglected. This can be troublesome because water is a light molecule and NQE are known to influence the structural and dynamic properties of water even at ambient conditions. For …

    cuny-grad Repository record