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Material and thermal properties of MgCl2 molten salt by ab initio and machine-learning molecular-dynamics simulations
We study the structural, thermophysical and dynamical properties of molten MgCl2 over a wide temperature range using Ab Initio Molecular Dynamics (AIMD) and molecular dynamics simulations based on machine-learning interaction potentials (MLIPs). MLIPs can achieve near-AIMD accuracy at a fraction of
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