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physics.chem-ph2026
Pressure-Temperature Phase Diagram and -Transition in Liquid Sulfur
Sonia Salomoni, Frédéric Datchi, A. Marco Saitta +1
Using molecular dynamics simulations driven by a machine-learned interatomic potential, we investigate at low to intermediate pressures the -transition of sulfur, a temperature-…
physics.chem-ph2026
Overcoming sampling limitations using machine-learned interatomic potentials: the case of water-in-salt electrolytes
Luca Brugnoli, Mathieu Salanne, A. Marco Saitta +2
Machine-learned interatomic potentials hold the promise to enable the modeling of highly concentrated liquids over meaningful timescales, far from reach for current ab initio elect…