Simulating electronic structure on bosonic quantum computers
arXiv:2404.10222 · doi:10.1021/acs.jctc.4c01400
Abstract
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 for a wide range of quantum simulations. In this work, we focus on the molecular electronic structure problem. We propose an approach to map the electronic Hamiltonian into a qumode bosonic problem that can be solved on bosonic quantum devices using the variational quantum eigensolver (VQE). Our approach is demonstrated through the computation of ground potential energy surfaces for benchmark model systems, including H and the linear H molecule. The preparation of trial qumode states and the computation of expectation values leverage universal ansatzes based on the echoed conditional displacement (ECD), or the selective number-dependent arbitrary phase (SNAP) operations. These techniques are compatible with circuit quantum electrodynamics (cQED) platforms, where microwave resonators coupled to superconducting transmon qubits can offer an efficient hardware realization. This work establishes a new pathway for simulating many-fermion systems, highlighting the potential of hybrid qubit-qumode quantum devices in advancing quantum computational chemistry.
83 pages including references and SI, 23 figures, minor revision
References in corpus (50)
- SciPy 1.0--Fundamental Algorithms for Scientific Computing in Python
- A variational eigenvalue solver on a quantum processor
- Quantum information with continuous variables
- Circuit Quantum Electrodynamics
- Trapped-Ion Quantum Computing: Progress and Challenges
- An adaptive variational algorithm for exact molecular simulations on a quantum computer
- Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
- Reconstruction of non-classical cavity field states with snapshots of their decoherence
- The Bravyi-Kitaev transformation for quantum computation of electronic structure
- Variational ansatz-based quantum simulation of imaginary time evolution
- Qudits and high-dimensional quantum computing
- Simulation of Electronic Structure Hamiltonians Using Quantum Computers
- Boson Sampling for Molecular Vibronic Spectra
- Low Depth Quantum Simulation of Electronic Structure
- Towards the solution of the many-electron problem in real materials: equation of state of the hydrogen chain with state-of-the-art many-body methods
- 3-Wave Mixing Josephson Dipole Element
- Cavity State Manipulation Using Photon-Number Selective Phase Gates
- Deterministic creation of entangled atom-light Schrödinger-cat states
- Quantum computing with Qiskit
- Pushing Configuration-Interaction to the Limit: Towards Massively Parallel MCSCF Calculations
- Three-dimensional superconducting resonators at mK with the photon lifetime up to seconds
- Fast Universal Control of an Oscillator with Weak Dispersive Coupling to a Qubit
- Universal Control of an Oscillator with Dispersive Coupling to a Qubit
- Efficient multiphoton sampling of molecular vibronic spectra on a superconducting bosonic processor
- Quantum information processing with bosonic qubits in circuit QED
- Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices
- Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory
- Deterministic protocol for mapping a qubit to coherent state superpositions in a cavity
- Programmable interference between two microwave quantum memories
- A Unified Theoretical Framework for Mapping Models for the Multi-State Hamiltonian
- Engineering bilinear mode coupling in circuit QED: Theory and experiment
- Half-BPS Giants, Free Fermions and Microstates of Superstars
- High-fidelity parametric beamsplitting with a parity-protected converter
- Observation of wave-packet branching through an engineered conical intersection
- Simulating Chemistry on Bosonic Quantum Devices
- Exact operator bosonization of finite number of fermions in one space dimension
- Conditional not displacement: fast multi-oscillator control with a single qubit
- Fast flux control of 3D transmon qubits using a magnetic hose
- Crosstalk-Robust Quantum Control in Multimode Bosonic Systems
- Shaping photons: quantum computation with bosonic cQED
- Variational quantum iterative power algorithms for global optimization
- Physically motivated improvements of Variational Quantum Eigensolvers
- Energy-dependent barren plateau in bosonic variational quantum circuits
- A Roadmap for Simulating Chemical Dynamics on a Parametrically Driven Bosonic Quantum Device
- Toward hybrid quantum simulations with qubits and qumodes on trapped-ion platforms
- Simulating Vibrational Dynamics on Bosonic Quantum Devices
- Hybrid Oscillator-Qubit Quantum Processors: Simulating Fermions, Bosons, and Gauge Fields
- Fermihedral: On the Optimal Compilation for Fermion-to-Qubit Encoding
- Efficient cavity control with SNAP gates
- Efficient, direct compilation of SU(N) operations into SNAP & Displacement gates