Engineering analog quantum chemistry Hamiltonians using cold atoms in optical lattices

Abstract

Using quantum systems to efficiently solve quantum chemistry problems is one of the long-sought applications of near-future quantum technologies. In a recent work, ultra-cold fermionic atoms have been proposed for these purposes by showing us how to simulate in an analog way the quantum chemistry Hamiltonian projected in a lattice basis set. Here, we continue exploring this path and go beyond these first results in several ways. First, we numerically benchmark the working conditions of the analog simulator, and find less demanding experimental setups where chemistry-like behaviour in three-dimensions can still be observed. We also provide a deeper understanding of the errors of the simulation appearing due to discretization and finite size effects and provide a way to mitigate them. Finally, we benchmark the simulator characterizing the behaviour of two-electron atoms (He) and molecules (HeH${}^{+}$) beyond the example considered in the original work.

arXiv commentAccepted version of the manuscript. 30 pages, 14 figures

References in corpus (54)

• Many-Body Physics with Ultracold Gases
• A variational eigenvalue solver on a quantum processor
• Feshbach Resonances in Ultracold Gases
• Cold bosonic atoms in optical lattices
• Hardware-efficient Variational Quantum Eigensolver for Small Molecules and Quantum Magnets
• Quantum Chemistry in the Age of Quantum Computing
• Simulated Quantum Computation of Molecular Energies
• Real time evolution using the density matrix renormalization group
• Controlling Spin Exchange Interactions of Ultracold Atoms in Optical Lattices
• Cold atoms in cavity-generated dynamical optical potentials
• Hamiltonian Simulation by Qubitization
• Noise-Induced Barren Plateaus in Variational Quantum Algorithms
• Scalable Quantum Simulation of Molecular Energies
• Time-resolved Observation and Control of Superexchange Interactions with Ultracold Atoms in Optical Lattices
• Synthetic three-dimensional atomic structures assembled atom by atom
• Fermi-Hubbard physics with atoms in an optical lattice
• Simulation of Electronic Structure Hamiltonians Using Quantum Computers
• Quantum phases from competing short- and long-range interactions in an optical lattice
• Gate count estimates for performing quantum chemistry on small quantum computers
• A subradiant optical mirror formed by a single structured atomic layer
• Cavity Nonlinear Optics at Low Photon Numbers from Collective Atomic Motion
• Low Depth Quantum Simulation of Electronic Structure
• Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization
• Atom-field dressed states in slow-light waveguide QED
• State preparation and dynamics of ultracold atoms in higher lattice orbitals
• A high-accuracy algorithm for designing arbitrary holographic atom traps
• Direct probing of the Mott crossover in the SU($N$) Fermi-Hubbard model
• Analog quantum chemistry simulation
• Localized magnetic moments with tunable spin exchange in a gas of ultracold fermions
• Spontaneous Emission in a Matter-Wave Open Quantum System
• Bound states in boson impurity models
• Ultracold atoms confined in an optical lattice plus parabolic potential: a closed-form approach
• Quantum Simulation of Chemistry with Sublinear Scaling in Basis Size
• Density Functional Theory is Not Straying from the Path toward the Exact Functional
• State-dependent optical lattices for the strontium optical qubit
• A review on non-relativistic fully numerical electronic structure calculations on atoms and diatomic molecules
• Chiral Topological Superconductors Enhanced by Long-Range Interactions
• Single-atom density of states of an optical lattice
• Telecom-band quantum optics with ytterbium atoms and silicon nanophotonics
• Confinement control by optical lattices
• Effective many-body Hamiltonians of qubit-photon bound states
• Sliced Basis Density Matrix Renormalization Group for Electronic Structure
• Reduced volume and reflection for bright optical tweezers with radial Laguerre-Gauss beams
• Hybrid grid/basis set discretizations of the Schrödinger equation
• Multi-sliced Gausslet Basis Sets for Electronic Structure
• Ultracold-atom quantum simulator for attosecond science
• Quantum Simulation of Ultrafast Dynamics Using Trapped Ultracold Atoms
• Emulating Molecular Orbitals and Electronic Dynamics with Ultracold Atoms
• Error mitigation with Clifford quantum-circuit data
• Fast and efficient preparation of 1D chains and dense cold atomic clouds
• Quantum Simulation of 2D Quantum Chemistry in Optical Lattices
• Variational finite-difference representation of the kinetic energy operator
• Maltese cross coupling to individual cold atoms in free space
• Honeycomb optical lattices with harmonic confinement

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