Physics-constrained equivariant GNN warm starts cut DFT+DMFT self-consistency iterations by 2-4x across Fe, FeO and NiO, enabling an MLIP-based NVE coexistence simulation that yields a 6225 K melting temperature for hcp-Fe at 330 GPa.
Title resolution pending
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
years
2025 2verdicts
UNVERDICTED 2representative citing papers
La5Ni3O11 shows layer-selective physics with the single layer near a Mott instability and the bilayer dominating low-energy states, yielding an electronic structure that closely resembles the bilayer La3Ni2O7.
citing papers explorer
-
Physics-Constrained Self-Energy Warm Starts for Charge-Self-Consistent DFT+DMFT: Application to Iron at Core Conditions
Physics-constrained equivariant GNN warm starts cut DFT+DMFT self-consistency iterations by 2-4x across Fe, FeO and NiO, enabling an MLIP-based NVE coexistence simulation that yields a 6225 K melting temperature for hcp-Fe at 330 GPa.
-
Correlated electronic structure of the alternating monolayer-bilayer nickelate La$_{5}$Ni$_{3}$O$_{11}$
La5Ni3O11 shows layer-selective physics with the single layer near a Mott instability and the bilayer dominating low-energy states, yielding an electronic structure that closely resembles the bilayer La3Ni2O7.