Polynomial-time quantum algorithm for the simulation of chemical dynamics.

Kassal, Ivan.

Jordan, Stephen P.

Love, Peter J.

Mohseni, M. (Masoud), 1969-

Aspuru-Guzik, Alán.


  • 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 ... read more
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  • Kassal, I., S. P. Jordan, P. J. Love, M. Mohseni, and A. Aspuru-Guzik. "Polynomial-Time Quantum Algorithm for the Simulation of Chemical Dynamics." Proceedings of the National Academy of Sciences 105, no. 48 (November 24, 2008): 18681-18686. doi:10.1073/pnas.0808245105.
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