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  1. Using AI to help us understand computer simulations that predict how to make a porous solid faster.

    Article • The Journal of Chemical Physics, December 2024, American Institute of Physics

    Rocio Semino, Scott Auerbach

  2. Porous solids for energy applications

    Article • The Journal of Chemical Physics, November 2024, American Institute of Physics

    Rocio Semino, Saman Alavi

  3. Force matching and iterative Boltzmann inversion coarse grained force fields for ZIF-8

    Article • The Journal of Chemical Physics, March 2024, American Institute of Physics

    Rocio Semino

  4. Erratum: “Coarse-grained modeling of zeolitic imidazolate framework-8 using MARTINI force fields” [J. Chem. Phys. 158, 194107 (2023)]

    Article • The Journal of Chemical Physics, February 2024, American Institute of Physics

    Rocio Semino

  5. Coarse-grained modeling of zeolitic imidazolate framework-8 using MARTINI force fields

    Article • The Journal of Chemical Physics, May 2023, American Institute of Physics

    Rocio Semino

  6. Modelling the self-assembly of a metal-organic framework

    Article • The Journal of Chemical Physics, November 2022, American Institute of Physics

    Rocio Semino