PET-UAFD ensemble of ML potentials, calibrated on experimental cohesive energies and moduli, matches experimental accuracy on liquid properties and supplies uncertainty estimates via the PET-EXP protocol.
Burke, Perspective on density functional theory., The Journal of chemical physics136, 150901 (2012), 22519306
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Errors that matter: Uncertainty-aware universal machine-learning potentials calibrated on experiments
PET-UAFD ensemble of ML potentials, calibrated on experimental cohesive energies and moduli, matches experimental accuracy on liquid properties and supplies uncertainty estimates via the PET-EXP protocol.