DFT-trained machine-learned interatomic potential for lithium niobate

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: M.A.N. Dewapriya
DOI: 10.5281/zenodo.18110190
Cited by: 0

Abstract

This is the version of the potential used in the journal paper "Thermoelastic anisotropy of lithium niobate from molecular dynamics with a machine-learned interatomic potential" DOI: 10.1016/j.commatsci.2026.114956

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
22 July 2026
Document type
Dataset