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Computational simulation demonstrates accurate molecular dynamics during photochemical reactions in model molecules, suggesting a step toward quantum advantage for realistic chemical simulations.
photoisomerization of methanimine and the electronic relaxation of ethylene. The results show qualitatively accurate molecular dynamics that align with experimental findings and other computational studies. This work is expected to mark a significant step towards achieving a "quantum advantage" for realistic chemical simulations.
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Gil et al. (2024) studied this question.
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