Modeling fission product nucleation in molten NaCl using universal machine-learning potentials
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Contains simulation input files of the article: Modeling fission product nucleation in molten NaCl using universal machine-learning potentials(Agustin Salcedo, Giovanni Pireddu, Mathieu Salanne, David Lambertin) Physical Chemistry Chemical Physics, 2026DOI: https://doi.org/10.1039/D6CP00351F The folder CP2K_INPUT contains typical CP2K input files used to perform ab inito molecular dynamics. The STRUCTURES folder contains examples snapshots from all types of systems studied (monomer, dimer, nanoparticles).
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2026-05-02
