Preprint
Jul 2026
Predicting Novel Stable Materials for Experimental Synthesis
Machine-learning-accelerated materials discovery has yielded large numbers of computationally stable compounds, yet many remain experimentally unrealized, underscoring a persistent gap between prediction and synthesis. Here, we introduce a hierarchical screening framework that combines PBE-based thermodynamic stability...
Yuqi An, Sihong Zhu, Joseph H. Montoya et al.
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