Polynomial-time quantum algorithm for the simulation of chemical dynamics

  title={Polynomial-time quantum algorithm for the simulation of chemical dynamics},
  author={Ivan Kassal and Stephen P. Jordan and Peter J. Love and Masoud Mohseni and Al{\'a}n Aspuru‐Guzik},
  journal={Proceedings of the National Academy of Sciences},
  pages={18681 - 18686}
The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can be applied only to small systems. By contrast, we demonstrate that quantum computers could exactly simulate chemical reactions in polynomial time. Our algorithm uses the split-operator approach and explicitly simulates all electron-nuclear and interelectronic interactions in quadratic time. Surprisingly, this treatment is not only… 

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