Sparse-volume Grüneisen interpolation reconstructs QHA Gibbs free energies with sub-meV/atom errors for simple solids using only 3 phonon volume points, achieving 6-9x speedup.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
ACCEPT 1representative citing papers
citing papers explorer
-
An Efficient Method for Gibbs Free Energy Evaluation under Volume Compression
Sparse-volume Grüneisen interpolation reconstructs QHA Gibbs free energies with sub-meV/atom errors for simple solids using only 3 phonon volume points, achieving 6-9x speedup.