Simulation of adiabatic quantum computing for molecular ground states

• URL: http://arxiv.org/abs/2103.12059v2
• Date: Thu, 25 Mar 2021 02:34:46 GMT
• Title: Simulation of adiabatic quantum computing for molecular ground states
• Authors: Vladimir Kremenetski, Carlos Mejuto-Zaera, Stephen J. Cotton, Norm M. Tubman
• Abstract summary: We explore a novel approach for simulating the time dynamics of Adiabatic state preparation (ASP) We use this new approach to simulate ASP for sets of small molecular systems and Hubbard models. We find that the required state preparation times do not show an immediate exponential wall that would preclude an efficient run of ASP on actual hardware.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: Quantum computation promises to provide substantial speedups in many practical applications with a particularly exciting one being the simulation of quantum many-body systems. Adiabatic state preparation (ASP) is one way that quantum computers could recreate and simulate the ground state of a physical system. In this paper we explore a novel approach for classically simulating the time dynamics of ASP with high accuracy, and with only modest computational resources via an adaptive sampling configuration interaction (ASCI) scheme for truncating the Hilbert space to only the most important determinants. We verify that this truncation introduces negligible error, and use this new approach to simulate ASP for sets of small molecular systems and Hubbard models. Further, we examine two approaches to speeding up ASP when performed on quantum hardware: (i) using the complete active space configuration interaction (CASCI) wavefunction instead of the Hartree-Fock initial state and (ii)~a non-linear interpolation between initial and target Hamiltonians. We find that starting with a CASCI wavefunction with a limited active space yields substantial speedups for many of the systems examined while non-linear interpolation does not. Additionally, we observe interesting trends in the minimum gap location (based on the initial state) as well as how critical time can depend on certain molecular properties such as the number of valence electrons. Importantly, we find that the required state preparation times do not show an immediate exponential wall that would preclude an efficient run of ASP on actual hardware.

Related papers

• A recipe for local simulation of strongly-correlated fermionic matter on quantum computers: the 2D Fermi-Hubbard model [0.0]
  We provide a step-by-step recipe for simulating the paradigmatic two-dimensional Fermi-Hubbard model on a quantum computer using only local operations. We provide a detailed recipe for an end-to-end simulation including embedding on a physical device.
  arXiv  Detail & Related papers  (2024-08-26T18:00:07Z)
• Efficient Learning for Linear Properties of Bounded-Gate Quantum Circuits [63.733312560668274]
  Given a quantum circuit containing d tunable RZ gates and G-d Clifford gates, can a learner perform purely classical inference to efficiently predict its linear properties? We prove that the sample complexity scaling linearly in d is necessary and sufficient to achieve a small prediction error, while the corresponding computational complexity may scale exponentially in d. We devise a kernel-based learning model capable of trading off prediction error and computational complexity, transitioning from exponential to scaling in many practical settings.
  arXiv  Detail & Related papers  (2024-08-22T08:21:28Z)
• 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)
• Resource-Efficient Hybrid Quantum-Classical Simulation Algorithm [0.0]
  Digital quantum computers promise exponential speedups in performing quantum time-evolution. The task of extracting desired quantum properties at intermediate time steps remains a computational bottleneck. We propose a hybrid simulator that enables classical computers to leverage FTQC devices and quantum time propagators to overcome this bottleneck.
  arXiv  Detail & Related papers  (2024-05-17T04:17:27Z)
• Physics-informed active learning for accelerating quantum chemical simulations [10.56535364437456]
  We introduce the end-to-end AL for constructing robust data-efficient potentials in quantum chemical simulations. Our protocol is based on the physics-informed sampling of training points, automatic selection of initial data, uncertainty quantification, and convergence monitoring. These investigations took us days instead of weeks of pure quantum chemical calculations on a high-performance computing cluster.
  arXiv  Detail & Related papers  (2024-04-18T00:17:01Z)
• Spatiotemporal Quenches for Efficient Critical Ground State Preparation in Two-Dimensional Quantum Systems [0.0]
  We show the effectiveness of quenches in rapidly preparing ground states in critical phases. Our simulations reveal the existence of an optimal quench front velocity at the emergent speed of light. These findings emphasize the potential of quenchtemporal quenches efficient ground state preparation in quantum systems.
  arXiv  Detail & Related papers  (2024-04-03T18:00:01Z)
• Universality of critical dynamics with finite entanglement [68.8204255655161]
  We study how low-energy dynamics of quantum systems near criticality are modified by finite entanglement. Our result establishes the precise role played by entanglement in time-dependent critical phenomena.
  arXiv  Detail & Related papers  (2023-01-23T19:23:54Z)
• Probing finite-temperature observables in quantum simulators of spin systems with short-time dynamics [62.997667081978825]
  We show how finite-temperature observables can be obtained with an algorithm motivated from the Jarzynski equality. We show that a finite temperature phase transition in the long-range transverse field Ising model can be characterized in trapped ion quantum simulators.
  arXiv  Detail & Related papers  (2022-06-03T18:00:02Z)
• Recompilation-enhanced simulation of electron-phonon dynamics on IBM Quantum computers [62.997667081978825]
  We consider the absolute resource cost for gate-based quantum simulation of small electron-phonon systems. We perform experiments on IBM quantum hardware for both weak and strong electron-phonon coupling. Despite significant device noise, through the use of approximate circuit recompilation we obtain electron-phonon dynamics on current quantum computers comparable to exact diagonalisation.
  arXiv  Detail & Related papers  (2022-02-16T19:00:00Z)
• Benchmarking a novel efficient numerical method for localized 1D Fermi-Hubbard systems on a quantum simulator [0.0]
  We show that a quantum simulator can be used to in-effect solve for the dynamics of a many-body system. We use a neutral-atom Fermi-Hubbard quantum simulator with $L_textexpsimeq290$ lattice sites to benchmark its performance. We derive a simple prediction of the behaviour of interacting Bloch oscillations for spin-imbalanced Fermi-Hubbard systems.
  arXiv  Detail & Related papers  (2021-05-13T16:03:11Z)
• Fast and differentiable simulation of driven quantum systems [58.720142291102135]
  We introduce a semi-analytic method based on the Dyson expansion that allows us to time-evolve driven quantum systems much faster than standard numerical methods. We show results of the optimization of a two-qubit gate using transmon qubits in the circuit QED architecture.
  arXiv  Detail & Related papers  (2020-12-16T21:43:38Z)

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.