Tapering off qubits to simulate fermionic Hamiltonians
arXiv:1701.08213
Abstract
We discuss encodings of fermionic many-body systems by qubits in the presence of symmetries. Such encodings eliminate redundant degrees of freedom in a way that preserves a simple structure of the system Hamiltonian enabling quantum simulations with fewer qubits. First we consider symmetry describing the particle number conservation. Using a previously known encoding based on the first quantization method a system of fermi modes with particles can be simulated on a quantum computer with qubits. We propose a new version of this encoding tailored to variational quantum algorithms. Also we show how to improve sparsity of the simulator Hamiltonian using orthogonal arrays. Next we consider encodings based on the second quantization method. It is shown that encodings with a given filling fraction and a qubit-per-mode ratio can be constructed from efficiently decodable classical LDPC codes with the relative distance and the encoding rate . A family of codes based on high-girth bipartite graphs is discussed. Graph-based encodings eliminate roughly qubits. Finally we consider discrete symmetries, and show how to eliminate qubits using previously known encodings, illustrating the technique for simple molecular-type Hamiltonians.
15 pages, 3 figures
References in corpus (13)
- A variational eigenvalue solver on a quantum processor
- Simulated Quantum Computation of Molecular Energies
- Fermionic quantum computation
- A quantum algorithm providing exponential speed increase for finding eigenvalues and eigenvectors
- Towards Practical Quantum Variational Algorithms
- Solving strongly correlated electron models on a quantum computer
- Adiabatic Quantum Simulation of Quantum Chemistry
- Efficient Quantum Circuits for Schur and Clebsch-Gordan Transforms
- Local spin operators for fermion simulations
- Controlling quantum systems by embedded dynamical decoupling schemes
- Simulating Hamiltonians in Quantum Networks: Efficient Schemes and Complexity Bounds
- Equivalence of Decoupling Schemes and Orthogonal Arrays
- Quantum Algorithms for Quantum Chemistry based on the sparsity of the CI-matrix
Cited by in corpus (103)
- Hardware-efficient Variational Quantum Eigensolver for Small Molecules and Quantum Magnets
- A Quantum Engineer's Guide to Superconducting Qubits
- Noisy intermediate-scale quantum (NISQ) algorithms
- Quantum computational chemistry
- The Variational Quantum Eigensolver: a review of methods and best practices
- Programmable Quantum Simulations of Spin Systems with Trapped Ions
- Demonstration of multi-qubit entanglement and algorithms on a programmable neutral atom quantum computer
- Robust determination of molecular spectra on a quantum processor
- Generalized Unitary Coupled Cluster Wavefunctions for Quantum Computation
- Quantum Simulation of Electronic Structure with Linear Depth and Connectivity
- Quantum algorithms for electronic structure calculations: particle/hole Hamiltonian and optimized wavefunction expansions
- Robust data encodings for quantum classifiers
- Simulating Large Quantum Circuits on a Small Quantum Computer
- Variational quantum algorithms for discovering Hamiltonian spectra
- Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization
- Efficient estimation of Pauli observables by derandomization
- A perspective on the current state-of-the-art of quantum computing for drug discovery applications
- Emerging quantum computing algorithms for quantum chemistry
- Efficient quantum measurement of Pauli operators in the presence of finite sampling error
- Improved Fault-Tolerant Quantum Simulation of Condensed-Phase Correlated Electrons via Trotterization
- Quantum Orbital-Optimized Unitary Coupled Cluster Methods in the Strongly Correlated Regime: Can Quantum Algorithms Outperform their Classical Equivalents?
- Improved Techniques for Preparing Eigenstates of Fermionic Hamiltonians
- Reducing qubit requirements for quantum simulation using molecular point group symmetries
- Fault-Tolerant Quantum Simulations of Chemistry in First Quantization
- Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
- Minimizing State Preparations in Variational Quantum Eigensolver by Partitioning into Commuting Families
- Improving Hamiltonian encodings with the Gray code
- Eliminating fermionic matter fields in lattice gauge theories
- Toward scalable simulations of Lattice Gauge Theories on quantum computers
- Quantum HF/DFT-Embedding Algorithms for Electronic Structure Calculations: Scaling up to Complex Molecular Systems
- Neural Error Mitigation of Near-Term Quantum Simulations
- Mutual information-assisted Adaptive Variational Quantum Eigensolver
- Calculating transition amplitudes by variational quantum deflation
- Iterative Quantum Assisted Eigensolver
- Benchmarking of Different Optimizers in the Variational Quantum Algorithms for Applications in Quantum Chemistry
- Reducing qubit requirements while maintaining numerical precision for the Variational Quantum Eigensolver: A Basis-Set-Free Approach
- Simulating quantum chemistry in the seniority-zero space on qubit-based quantum computers
- A Domain-agnostic, Noise-resistant, Hardware-efficient Evolutionary Variational Quantum Eigensolver
- Qubit-efficient encoding scheme for quantum simulations of electronic structure
- On the natural gradient for variational quantum eigensolver
- A variational quantum eigensolver for dynamic correlation functions
- Clifford Circuit Optimization with Templates and Symbolic Pauli Gates
- Gauge invariant quantum circuits for and Yang-Mills lattice gauge theories
- N-electron valence perturbation theory with reference wavefunctions from quantum computing: application to the relative stability of hydroxide anion and hydroxyl radical
- Ab Initio Molecular Dynamics on Quantum Computers
- Verifiable Hybrid Secret Sharing With Few Qubits
- Quantum hardware calculations of periodic systems with partition-measurement symmetry verification: simplified models of hydrogen chain and iron crystals
- Improving the variational quantum eigensolver using variational adiabatic quantum computing
- The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry
- Emulating two qubits with a four-level transmon qudit for variational quantum algorithms
- Variationally Scheduled Quantum Simulation
- Towards the Practical Application of Near-Term Quantum Computers in Quantum Chemistry Simulations: A Problem Decomposition Approach
- Hierarchical Clifford transformations to reduce entanglement in quantum chemistry wavefunctions
- Impacts of Noise and Structure on Quantum Information Encoded in a Quantum Memory
- Quantum circuits for the preparation of spin eigenfunctions on quantum computers
- Using Quantum Annealers to Calculate Ground State Properties of Molecules
- Quantum simulations of molecular systems with intrinsic atomic orbitals
- QChemistry: A quantum computation platform for quantum chemistry
- Low-depth simulations of fermionic systems on square-grid quantum hardware
- Lowering Tomography Costs in Quantum Simulation with a Symmetry Projected Operator Basis
- VQE Method: A Short Survey and Recent Developments
- Quantum Chemistry Calculations using Energy Derivatives on Quantum Computers
- A Quantum Computing Implementation of Nuclear-Electronic Orbital (NEO) Theory: Towards an Exact pre-Born-Oppenheimer Formulation of Molecular Quantum Systems
- Quantum Information Driven Ansatz (QIDA): shallow-depth empirical quantum circuits from Quantum Chemistry
- Bayesian phase difference estimation algorithm for direct calculation of fine structure splitting: accelerated simulation of relativistic and quantum many-body effects
- Extending the reach of quantum computing for materials science with machine learning potentials
- Workflow for practical quantum chemical calculations with quantum phase estimation algorithm: electronic ground and π-π* excited states of benzene and its derivatives†
- Quantum computing for classical problems: Variational Quantum Eigensolver for activated processes
- Quantum simulation from the bottom up: the case of rebits
- Efficient Strategies for Reducing Sampling Error in Quantum Krylov Subspace Diagonalization
- Adaptive shot allocation for fast convergence in variational quantum algorithms
- The qudit Pauli group: non-commuting pairs, non-commuting sets, and structure theorems
- Roadmap for quantum simulation of the fractional quantum Hall effect
- Optimization of the Variational Quantum Eigensolver for Quantum Chemistry Applications
- A Practical Framework for Quantum Error Mitigation
- Noise reduction using past causal cones in variational quantum algorithms
- Compressed variational quantum eigensolver for the Fermi-Hubbard model
- Fermihedral: On the Optimal Compilation for Fermion-to-Qubit Encoding
- Accurate harmonic vibrational frequencies for diatomic molecules via quantum computing
- A Full Quantum Eigensolver for Quantum Chemistry Simulations
- Multireference error mitigation for quantum computation of chemistry
- Sequence of penalties method to study excited states using VQE
- Exploiting subspace constraints and ab initio variational methods for quantum chemistry
- Extending Quantum Computing through Subspace, Embedding and Classical Molecular Dynamics Techniques
- Optimizing Electronic Structure Simulations on a Trapped-ion Quantum Computer using Problem Decomposition
- Simulating polaritonic ground states on noisy quantum devices
- QForte: an efficient state simulator and quantum algorithms library for molecular electronic structure
- Expanding variational quantum eigensolvers to larger systems by dividing the calculations between classical and quantum hardware
- Resource-Efficient Quantum Circuits for Molecular Simulations: A Case Study of Umbrella Inversion in Ammonia
- The Electronic Structure of the Hydrogen Molecule: A Tutorial Exercise in Classical and Quantum Computation
- Clifford circuit based heuristic optimization of fermion-to-qubit mappings
- High-Quality Protein Force Fields with Noisy Quantum Processors
- Does the full configuration interaction method based on quantum phase estimation with Trotter decomposition satisfy the size consistency condition?
- Quantum Simulations of Chemical Reactions: Achieving Accuracy with NISQ Devices
- Electronic Structure Theory with Molecular Point Group Symmetries on Quantum Annealers
- Optimizing Quantum Chemistry Simulations with a Hybrid Quantization Scheme
- Generative flow-based warm start of the variational quantum eigensolver
- Best-practice aspects of quantum-computer calculations: A case study of hydrogen molecule
- Quantum Computation
- Electronic Structure Calculations and the Ising Hamiltonian
- Chemistry beyond the Hartree-Fock limit via quantum computed moments
- QuaSiMo: A Composable Library to Program Hybrid Workflows for Quantum Simulation
- Resource Estimation for VQE on Small Molecules: Impact of Fermion Mappings and Hamiltonian Reductions