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Computational quantum chemistry: Classical gaps, quantum opportunities, open questionsSummer Cluster on Quantum Computing 20252025-07-07
Classical methods power most chemistry but leave two gaps: DFT does 95% of daily simulations yet lacks chemical accuracy for barrier heights, and high‑accuracy…
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Computational quantum chemistry: Classical gaps, quantum opportunities, open questions Part 2Summer Cluster on Quantum Computing 20252025-07-07
Claims a hybrid workflow that compresses strong-correlation space into a small n‑particle basis and then uses a quantum device to evaluate matrix elements that…
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