Mapping Quantum Chemical Dynamics Problems to Spin-Lattice Simulators.

  title={Mapping Quantum Chemical Dynamics Problems to Spin-Lattice Simulators.},
  author={Debadrita Saha and Srinivasan S. Iyengar and Philip Richerme and Jeremy M. Smith and Amr Sabry},
  journal={Journal of chemical theory and computation},
The accurate computational determination of chemical, materials, biological, and atmospheric properties has a critical impact on a wide range of health and environmental problems, but is deeply limited by the computational scaling of quantum mechanical methods. The complexity of quantum chemical studies arises from the steep algebraic scaling of electron correlation methods and the exponential scaling in studying nuclear dynamics and molecular flexibility. To date, efforts to apply quantum… Expand


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