A reweighting method with mean energy-gap approximation transfers PMFs between MLIPs to recover target reaction and activation free energies at low cost for a 601-atom Li+ transport system across DFT levels.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Reweighting free energy profiles between universal machine learning interatomic potentials for fast consensus building
A reweighting method with mean energy-gap approximation transfers PMFs between MLIPs to recover target reaction and activation free energies at low cost for a 601-atom Li+ transport system across DFT levels.