INCARBench evaluates 19 LLMs on VASP INCAR configuration generation and repair, showing high semantic accuracy but lower scientific correctness especially for DFT+U, magnetism, and correlated materials.
Title resolution pending
3 Pith papers cite this work. Polarity classification is still indexing.
3
Pith papers citing it
citation-role summary
method 1
citation-polarity summary
fields
cond-mat.mtrl-sci 3years
2026 3verdicts
UNVERDICTED 3roles
method 1polarities
use method 1representative citing papers
Monolayer NaCrTe2 shows scattering inversion from POP to ADP due to enhanced dielectric screening and lattice softening from dimensional confinement.
Thin CrSBr on gold shows ferromagnetic interlayer coupling stabilized by electron transfer from the substrate, confirmed by direct magnetic imaging and supported by DFT and spectroscopy.
citing papers explorer
-
INCARBench: A Benchmark for Scientific Configuration in VASP INCAR by Large Language Models
INCARBench evaluates 19 LLMs on VASP INCAR configuration generation and repair, showing high semantic accuracy but lower scientific correctness especially for DFT+U, magnetism, and correlated materials.
-
Dimensional Confinement Driven Scattering Inversion in NaCrTe$_2$
Monolayer NaCrTe2 shows scattering inversion from POP to ADP due to enhanced dielectric screening and lattice softening from dimensional confinement.
-
Ferromagnetic interlayer exchange coupling in a few layers of CrSBr on a gold thin film
Thin CrSBr on gold shows ferromagnetic interlayer coupling stabilized by electron transfer from the substrate, confirmed by direct magnetic imaging and supported by DFT and spectroscopy.