CLIO agent applies calibrated deference in closed-loop AORFB negolyte design, achieving 90 mV redox potential gain with restored reversibility after hypothesis-driven redesign from phosphonate to sulfonate.
Preprint at https://arxiv.org/abs/2502.12845
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Closed-Loop Molecular Design with Calibrated Deference
CLIO agent applies calibrated deference in closed-loop AORFB negolyte design, achieving 90 mV redox potential gain with restored reversibility after hypothesis-driven redesign from phosphonate to sulfonate.