Simulating Electronic Structure on Bosonic Quantum Computers

Journal of Chemical Theory and Computation, Год журнала: 2025, Номер unknown

Опубликована: Март 3, 2025

Quantum harmonic oscillators, or qumodes, provide a promising and versatile framework for quantum computing. Unlike qubits, which are limited to two discrete levels, qumodes have an infinite-dimensional Hilbert space, making them well-suited wide range of simulations. In this work, we focus on the molecular electronic structure problem. We propose approach map Hamiltonian into qumode bosonic problem that can be solved devices using variational eigensolver (VQE). Our is demonstrated through computation ground potential energy surfaces benchmark model systems, including H2 linear H4 molecule. The preparation trial states expectation values leverage universal ansatzes based echoed conditional displacement (ECD), selective number-dependent arbitrary phase (SNAP) operations. These techniques compatible with circuit electrodynamics (cQED) platforms, where microwave resonators coupled superconducting transmon qubits offer efficient hardware realization. This work establishes new pathway simulating many-fermion highlighting hybrid qubit-qumode in advancing computational chemistry.

Язык: Английский

Quantum computer formulation of the FKP-operator eigenvalue problem for probabilistic learning on manifolds

Computer Methods in Applied Mechanics and Engineering, Год журнала: 2025, Номер 443, С. 118080 - 118080

Опубликована: Май 21, 2025

Язык: Английский