Orbital Expansion Variational Quantum Eigensolver: Enabling Efficient Simulation of Molecules with Shallow Quantum Circuit

• URL: http://arxiv.org/abs/2210.06897v1
• Date: Thu, 13 Oct 2022 10:47:01 GMT
• Title: Orbital Expansion Variational Quantum Eigensolver: Enabling Efficient Simulation of Molecules with Shallow Quantum Circuit
• Authors: Yusen Wu, Zigeng Huang, Jinzhao Sun, Xiao Yuan, Jingbo B. Wang, and Dingshun Lv
• Abstract summary: Variational Quantum Eigensolver (VQE) is a promising method to study ground state properties in quantum chemistry, materials science, and condensed physics. Here, we propose an Orbital Expansion VQE(OE-VQE) framework to construct an efficient convergence path. The path starts from a highly correlated compact active space and rapidly expands and converges to the ground state, enabling ground states with much shallower quantum circuits.
• Score: 0.5541644538483947
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: In the noisy-intermediate-scale-quantum era, Variational Quantum Eigensolver (VQE) is a promising method to study ground state properties in quantum chemistry, materials science, and condensed physics. However, general quantum eigensolvers are lack of systematical improvability, and achieve rigorous convergence is generally hard in practice, especially in solving strong-correlated systems. Here, we propose an Orbital Expansion VQE~(OE-VQE) framework to construct an efficient convergence path. The path starts from a highly correlated compact active space and rapidly expands and converges to the ground state, enabling simulating ground states with much shallower quantum circuits. We benchmark the OE-VQE on a series of typical molecules including H$_{6}$-chain, H$_{10}$-ring and N$_2$, and the simulation results show that proposed convergence paths dramatically enhance the performance of general quantum eigensolvers.

Related papers

• Demonstration of a variational quantum eigensolver with a solid-state spin system under ambient conditions [15.044543674753308]
  Quantum simulators offer the potential to utilize the quantum nature of a physical system to study another physical system. The variational-quantum-eigensolver algorithm is a particularly promising application for investigating molecular electronic structures. Spin-based solid-state qubits have the advantage of long decoherence time and high-fidelity quantum gates.
  arXiv  Detail & Related papers  (2024-07-23T09:17:06Z)
• Observation of a non-Hermitian supersonic mode [6.846670002217106]
  We demonstrate the power of variational quantum circuits for resource-efficient simulations of dynamical and equilibrium physics in non-Hermitian systems. Using a variational quantum compilation scheme for fermionic systems, we reduce gate count, save qubits, and eliminate the need for postselection. We provide an analytical example demonstrating that simulating single-qubit non-Hermitian dynamics for $Theta(log(n))$ time from certain initial states is exponentially hard on a quantum computer.
  arXiv  Detail & Related papers  (2024-06-21T18:00:06Z)
• Parallel Quantum Computing Simulations via Quantum Accelerator Platform Virtualization [44.99833362998488]
  We present a model for parallelizing simulation of quantum circuit executions. The model can take advantage of its backend-agnostic features, enabling parallel quantum circuit execution over any target backend.
  arXiv  Detail & Related papers  (2024-06-05T17:16:07Z)
• Thermalization and Criticality on an Analog-Digital Quantum Simulator [133.58336306417294]
  We present a quantum simulator comprising 69 superconducting qubits which supports both universal quantum gates and high-fidelity analog evolution. We observe signatures of the classical Kosterlitz-Thouless phase transition, as well as strong deviations from Kibble-Zurek scaling predictions. We digitally prepare the system in pairwise-entangled dimer states and image the transport of energy and vorticity during thermalization.
  arXiv  Detail & Related papers  (2024-05-27T17:40:39Z)
• Quantum simulation of excited states from parallel contracted quantum eigensolvers [5.915403570478968]
  We show that a ground-state contracted quantum eigensolver can be generalized to compute any number of quantum eigenstates simultaneously. We introduce two excited-state CQEs that perform the excited-state calculation while inheriting many of the remarkable features of the original ground-state version of the algorithm.
  arXiv  Detail & Related papers  (2023-11-08T23:52:31Z)
• A self-consistent field approach for the variational quantum eigensolver: orbital optimization goes adaptive [52.77024349608834]
  We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Assembled Ansatz Variational Eigensolver (ADAPTVQE) This framework is used for efficient quantum simulations of chemical systems on nearterm quantum computers.
  arXiv  Detail & Related papers  (2022-12-21T23:15:17Z)
• Quantum emulation of the transient dynamics in the multistate Landau-Zener model [50.591267188664666]
  We study the transient dynamics in the multistate Landau-Zener model as a function of the Landau-Zener velocity. Our experiments pave the way for more complex simulations with qubits coupled to an engineered bosonic mode spectrum.
  arXiv  Detail & Related papers  (2022-11-26T15:04:11Z)
• Ab initio Quantum Simulation of Strongly Correlated Materials with Quantum Embedding [0.5872014229110214]
  ab initio simulation of solid-state materials on quantum computers is still in its early stage. We introduce an orbital-based multi-fragment approach on top of the periodic density matrix embedding theory. Our results suggest that quantum embedding combined with a chemically intuitive fragmentation can greatly advance quantum simulation of realistic materials.
  arXiv  Detail & Related papers  (2022-09-07T15:02:01Z)
• Quantum Davidson Algorithm for Excited States [42.666709382892265]
  We introduce the quantum Krylov subspace (QKS) method to address both ground and excited states. By using the residues of eigenstates to expand the Krylov subspace, we formulate a compact subspace that aligns closely with the exact solutions. Using quantum simulators, we employ the novel QDavidson algorithm to delve into the excited state properties of various systems.
  arXiv  Detail & Related papers  (2022-04-22T15:03:03Z)
• Quantum-optimal-control-inspired ansatz for variational quantum algorithms [105.54048699217668]
  A central component of variational quantum algorithms (VQA) is the state-preparation circuit, also known as ansatz or variational form. Here, we show that this approach is not always advantageous by introducing ans"atze that incorporate symmetry-breaking unitaries. This work constitutes a first step towards the development of a more general class of symmetry-breaking ans"atze with applications to physics and chemistry problems.
  arXiv  Detail & Related papers  (2020-08-03T18:00:05Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.