Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets

@article{Kandala2017HardwareefficientVQ,
  title={Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets},
  author={A. Kandala and A. Mezzacapo and K. Temme and M. Takita and M. Brink and J. Chow and J. Gambetta},
  journal={Nature},
  year={2017},
  volume={549},
  pages={242-246}
}
Quantum computers can be used to address electronic-structure problems and problems in materials science and condensed matter physics that can be formulated as interacting fermionic problems, problems which stretch the limits of existing high-performance computers. Finding exact solutions to such problems numerically has a computational cost that scales exponentially with the size of the system, and Monte Carlo methods are unsuitable owing to the fermionic sign problem. These limitations of… Expand
Quantum Chemistry and the Variational Quantum Eigensolver
Quantum Computation promises very large speed ups with respect to normal, classical computers on specific problems. Examples include prime-factoring and database searching. These applications are farExpand
Dynamical mean field theory algorithm and experiment on quantum computers
The developments of quantum computing algorithms and experiments for atomic scale simulations have largely focused on quantum chemistry for molecules, while their application in condensed matterExpand
A Full Quantum Eigensolver for Quantum Chemistry Simulations
TLDR
This work proposes a full quantum eigensolver (FQE) algorithm to calculate the molecular ground energies and electronic structures using quantum gradient descent to remove the classical optimizer and perform all the calculations on a quantum computer with faster convergence. Expand
Resource Efficient Chemistry on Quantum Computers with the Variational Quantum Eigensolver and The Double Unitary Coupled-Cluster Approach.
TLDR
This work employs the double unitary coupled-cluster (DUCC) method to effectively downfold correlation effects into the reduced-size orbital space, commonly referred to as the active space, and demonstrates that properly constructed effective Hamiltonians can capture the effect of the whole orbital space in small-size active spaces. Expand
Unbiasing Fermionic Quantum Monte Carlo with a Quantum Computer
Many-electron problems pose some of the greatest challenges in computational science, with important applications across many fields of modern science. Fermionic quantum Monte Carlo (QMC) methods areExpand
Analogue quantum chemistry simulation
TLDR
An analogue quantum simulator based on ultracold atoms in optical lattices and cavity quantum electrodynamics is proposed for the solution of quantum chemistry problems and tested numerically for a simple molecule. Expand
Ground-state energy estimation of the water molecule on a trapped-ion quantum computer
TLDR
An extensible co-design framework for solving chemistry problems on a trapped-ion quantum computer is described and applied to estimating the ground-state energy of the water molecule using the variational quantum eigensolver (VQE) method. Expand
Witnessing eigenstates for quantum simulation of Hamiltonian spectra
TLDR
The concept of an eigenstate witness is introduced and used to find energies of quantum systems with quantum computers and provides a new quantum approach that combines variational methods and phase estimation to approximate eigenvalues for both ground and excited states. Expand
Low-depth circuit ansatz for preparing correlated fermionic states on a quantum computer
Quantum simulations are bound to be one of the main applications of near-term quantum computers. Quantum chemistry and condensed matter physics are expected to benefit from these technologicalExpand
Solving Quantum Chemistry Problems with a D-Wave Quantum Annealer
TLDR
It is found that current quantum annealing technologies result in an exponential scaling for such inherently quantum problems and that new couplers are necessary to make quantumAnnealers attractive for quantum chemistry. Expand
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 44 REFERENCES
Progress towards practical quantum variational algorithms
The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and theExpand
A variational eigenvalue solver on a photonic quantum processor
TLDR
The proposed approach drastically reduces the coherence time requirements and combines this method with a new approach to state preparation based on ansätze and classical optimization, enhancing the potential of quantum resources available today and in the near future. Expand
Scalable Quantum Simulation of Molecular Energies
We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute theExpand
Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz
The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximateExpand
Quantum implementation of the unitary coupled cluster for simulating molecular electronic structure
In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modificationExpand
The theory of variational hybrid quantum-classical algorithms
TLDR
This work develops a variational adiabatic ansatz and explores unitary coupled cluster where it is shown how the use of modern derivative free optimization techniques can offer dramatic computational savings of up to three orders of magnitude over previously used optimization techniques. Expand
Towards quantum chemistry on a quantum computer.
TLDR
The application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis is reported and the complete energy spectrum is calculated to 20 bits of precision. Expand
From transistor to trapped-ion computers for quantum chemistry
TLDR
This work presents an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. Expand
Simulated Quantum Computation of Molecular Energies
TLDR
Calculations of the water and lithium hydride molecular ground-state energies have been carried out on a quantum computer simulator using a recursive phase-estimation algorithm and mapping of the molecular wave function to the quantum bits are described. Expand
Hybrid Quantum-Classical Hierarchy for Mitigation of Decoherence and Determination of Excited States
Author(s): McClean, JR; Kimchi-Schwartz, ME; Carter, J; De Jong, WA | Abstract: © 2017 American Physical Society. Using quantum devices supported by classical computational resources is a promisingExpand
...
1
2
3
4
5
...