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Similarly, COF26 was selected from a compact low -error regi on, with FunctionalAgent steering the search away from the high -error solutions associated with early candidate functionals (Fig · 2026 · DOI 10.1021/cr2001417

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FunctionalAgent: Towards end-to-end on-top functional design

physics.chem-ph · 2026-05-07 · unverdicted · novelty 7.0

FunctionalAgent automates end-to-end design of MC-PDFT on-top functionals, yielding MC26 and COF26 with claimed superior accuracy on training and test benchmarks.

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FunctionalAgent: Towards end-to-end on-top functional design physics.chem-ph · 2026-05-07 · unverdicted · none · ref 1
FunctionalAgent automates end-to-end design of MC-PDFT on-top functionals, yielding MC26 and COF26 with claimed superior accuracy on training and test benchmarks.

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