PhononBench-MP40 provides a spectrum-resolved benchmark dataset of Materials Project-derived crystals for workflow-defined phonon stability.
Read the original at arxiv.org→arXiv:2607.22573v1 Announce Type: new Abstract: Imaginary phonon modes remain a practical bottleneck in computational materials screening because otherwise plausible structures can be locally dynamically unstable...
Original headline: "PhononBench-MP40: a spectrum-resolved benchmark dataset for phonon stability"
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- Jul 28, 04:00 UTC arXiv cs.AI lead source PhononBench-MP40: a spectrum-resolved benchmark dataset for phonon stability