SLUSCHI Job Status

SLUSCHI-UP MT: SLUSCHI-UP/uMLIP prediction from the simulation workflow.
PBE Correction: a density-functional-theory (DFT) correction to the raw SLUSCHI-UP/uMLIP melting-temperature prediction. The correction is derived from PBE calculations and is intended to reduce systematic errors inherited from the underlying machine-learning potential. Additional theoretical details are available in Hong et al. (2026) .
R2SCAN Correction: a density-functional-theory correction to the raw SLUSCHI-UP/uMLIP melting-temperature prediction calculated using the R2SCAN meta-generalized-gradient approximation.
GNN MT: melting temperature predicted by the GNN model.
Expt MT: experimental melting temperature from MeltBench.
T0: Melting temperature here is T0 in the phase diagram community. In other words, SLUSCHI gives the temperature at which the solid and liquid phases of the same composition have equal free energy.
PBE/R2SCAN uncertainty: PBE and R2SCAN uncertainties are propagated standard errors from the solid/liquid enthalpy sampling and the uncorrected melting temperature; an unusually large uncertainty indicates that the ΔH-based correction is poorly conditioned and should not be considered reliable, possibly because the uMLIP does not preserve representative solid/liquid phases, the uMLIP solid–liquid enthalpy difference is too small, or the phase enthalpies are noisy or insufficiently sampled.