Mapping Molecular Hamiltonians into Hamiltonians of Modular cQED Processors

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 c...

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Bibliographic Details
Published in:Journal of chemical theory and computation 2023-10, Vol.19 (19), p.6564-6576
Main Authors: Lyu, Ningyi, Miano, Alessandro, Tsioutsios, Ioannis, Cortiñas, Rodrigo G., Jung, Kenneth, Wang, Yuchen, Hu, Zixuan, Geva, Eitan, Kais, Sabre, Batista, Victor S.
Format: Article
Language:English
Subjects:
Charge transfer
Circuits
Dynamics
Mapping
Microprocessors
Operators
Quantum electrodynamics
Transformations (mathematics)
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Summary: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.
ISSN:1549-9618
1549-9626
DOI:10.1021/acs.jctc.3c00620