Supporting informations

AIP Publishing 2026 Open access

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Authors: Andrea Silva, Detre Teschner, Travis Jones, Simone Piccinin
DOI: 10.60893/figshare.jcp.30855173
Cited by: 0

Abstract

The supplementary material reports additional DFT and MLIP benchmarks, additional data on vibrational contribution to the free energy and an example of the protocol to compute PCET voltages.

Publication details

Journal / source
AIP Publishing
Publication date
1 January 2026