MLIP Model and Dataset for "Coverage-Dependent Lateral Interactions Shape the Electrocatalytic Activity of High-Entropy Alloys""

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

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Authors: Pengfei Hou, J T Liu
DOI: 10.5281/zenodo.20580247
Cited by: 1

Abstract

This repository provides the final MLIP model, the corresponding training dataset, and an example script demonstrating MLIP-based structural optimization.

Publication details

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