A diffusion-based generator with quantum conditioning and hierarchical validation (PBE to CCSD(T)) yields 3-5x more stable candidates in high-divergence regions than DFT-only baselines.
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Quantum-Aware Generative AI for Materials Discovery: A Framework for Robust Exploration Beyond DFT Biases
A diffusion-based generator with quantum conditioning and hierarchical validation (PBE to CCSD(T)) yields 3-5x more stable candidates in high-divergence regions than DFT-only baselines.