Universal machine-learning interatomic potentials fail standard melt-quench amorphous-structure generation, expanding IrO2 to gas-like densities; a fixed-volume quench plus low-temperature NPT equilibration restores AIMD-matching densities across 30 materials.
Recent Progress of Amorphous Nanomaterials,
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Melt-Quench Failures and Practical Solutions for Universal Machine-Learning Interatomic Potentials in Amorphous Structure Generation
Universal machine-learning interatomic potentials fail standard melt-quench amorphous-structure generation, expanding IrO2 to gas-like densities; a fixed-volume quench plus low-temperature NPT equilibration restores AIMD-matching densities across 30 materials.