Ten-million-scale adsorbate-conditioned generation plus four-intermediate overlap yields 279 ammonia-synthesis candidate materials, with DFT-supported Fe-V and Al-Pd-Zr pathway leads.
Large Language Models as Master Key: Unlocking the Secrets of Materials Science with GPT 2023, p
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Reaction-Network-Level Discovery of Ammonia Synthesis Catalysts via Ten-Million-Scale Generative Exploration
Ten-million-scale adsorbate-conditioned generation plus four-intermediate overlap yields 279 ammonia-synthesis candidate materials, with DFT-supported Fe-V and Al-Pd-Zr pathway leads.