PhononBench

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

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Authors: xiao-qi han
DOI: 10.5281/zenodo.18185662
Cited by: 0

Abstract

PhononBench is a phonon-based benchmark for large-scale dynamical stability evaluation of AI-generated crystals, featuring 100k+ structures, DFT-level MatterSim phonon calculations, and open-source high-throughput workflows.

Publication details

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