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Mapping Molecular Hamiltonians into Hamiltonians of Modular cQED Processors.

Ningyi LyuAlessandro MianoIoannis TsioutsiosRodrigo G CortiñasKenneth JungYuchen WangZixuan HuEitan GevaSabre KaisVictor S Batista
Published in: Journal of chemical theory and computation (2023)
We introduce a general method based on the operators of the Dyson-Masleev transformation to map the Hamiltonian of an arbitrary model system into the Hamiltonian of a circuit Quantum Electrodynamics (cQED) processor. Furthermore, we introduce a modular approach to programming a cQED processor with components corresponding to the mapping Hamiltonian. The method is illustrated as applied to quantum dynamics simulations of the Fenna-Matthews-Olson (FMO) complex and the spin-boson model of charge transfer. Beyond applications to molecular Hamiltonians, the mapping provides a general approach to implement any unitary operator in terms of a sequence of unitary transformations corresponding to powers of creation and annihilation operators of a single bosonic mode in a cQED processor.
Keyphrases
  • high resolution
  • high density
  • molecular dynamics
  • single molecule
  • monte carlo
  • density functional theory
  • room temperature