Refining resource estimation for the quantum computation of vibrational
molecular spectra through Trotter error analysis
- URL: http://arxiv.org/abs/2311.03719v1
- Date: Tue, 7 Nov 2023 04:52:27 GMT
- Title: Refining resource estimation for the quantum computation of vibrational
molecular spectra through Trotter error analysis
- Authors: Dimitar Trenev, Pauline J Ollitrault, Stuart M. Harwood, Tanvi P.
Gujarati, Sumathy Raman, Antonio Mezzacapo, and Sarah Mostame
- Abstract summary: We accurately estimate quantum resources, such as number of qubits and quantum gates, required for vibrational structure calculations on a programmable quantum computer.
This work serves as a guide for analyzing the potential quantum advantage within vibrational structure simulations.
- Score: 0.0
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: Accurate simulations of vibrational molecular spectra are expensive on
conventional computers. Compared to the electronic structure problem, the
vibrational structure problem with quantum computers is less investigated. In
this work we accurately estimate quantum resources, such as number of qubits
and quantum gates, required for vibrational structure calculations on a
programmable quantum computer. Our approach is based on quantum phase
estimation and focuses on fault-tolerant quantum devices. In addition to
asymptotic estimates for generic chemical compounds, we present a more detailed
analysis of the quantum resources needed for the simulation of the Hamiltonian
arising in the vibrational structure calculation of acetylene-like polyynes of
interest. Leveraging nested commutators, we provide an in-depth quantitative
analysis of trotter errors compared to the prior investigations. Ultimately,
this work serves as a guide for analyzing the potential quantum advantage
within vibrational structure simulations.
Related papers
- 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) - Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers [0.0]
We present a study of quantum linear response theory obtaining spectroscopic properties on simulated fault-tolerant quantum computers.
This work introduces novel metrics to analyze and predict the origins of noise in the quantum algorithm.
We highlight the significant impact of Pauli saving in reducing measurement costs and noise.
arXiv Detail & Related papers (2024-08-17T23:46:17Z) - Simulating Chemistry on Bosonic Quantum Devices [30.89742280590898]
Bosonic quantum devices offer a novel approach to realize quantum computations.
We review recent progress and future potential of using bosonic quantum devices for addressing a wide range of challenging chemical problems.
arXiv Detail & Related papers (2024-04-16T01:54:50Z) - Quantum benefit of the quantum equation of motion for the strongly
coupled many-body problem [0.0]
The quantum equation of motion (qEOM) is a hybrid quantum-classical algorithm for computing excitation properties of a fermionic many-body system.
We demonstrate explicitly that the qEOM exhibits a quantum benefit due to the independence of the number of required quantum measurements.
arXiv Detail & Related papers (2023-09-18T22:10:26Z) - Quantum data learning for quantum simulations in high-energy physics [55.41644538483948]
We explore the applicability of quantum-data learning to practical problems in high-energy physics.
We make use of ansatz based on quantum convolutional neural networks and numerically show that it is capable of recognizing quantum phases of ground states.
The observation of non-trivial learning properties demonstrated in these benchmarks will motivate further exploration of the quantum-data learning architecture in high-energy physics.
arXiv Detail & Related papers (2023-06-29T18:00:01Z) - 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) - Numerical Simulations of Noisy Quantum Circuits for Computational
Chemistry [51.827942608832025]
Near-term quantum computers can calculate the ground-state properties of small molecules.
We show how the structure of the computational ansatz as well as the errors induced by device noise affect the calculation.
arXiv Detail & Related papers (2021-12-31T16:33:10Z) - Information Scrambling in Computationally Complex Quantum Circuits [56.22772134614514]
We experimentally investigate the dynamics of quantum scrambling on a 53-qubit quantum processor.
We show that while operator spreading is captured by an efficient classical model, operator entanglement requires exponentially scaled computational resources to simulate.
arXiv Detail & Related papers (2021-01-21T22:18:49Z) - Near- and long-term quantum algorithmic approaches for vibrational
spectroscopy [0.0]
We outline a set of quantum algorithms for solving the molecular vibrational structure problem for both near- and long-term quantum computers.
There are previously unaddressed characteristics of this problem which require approaches distinct from most instances of the commonly studied quantum simulation of electronic structure.
Results imply that more focus in the quantum information community ought to shift toward scientifically and industrially important quantum vibrational problems.
arXiv Detail & Related papers (2020-09-10T18:02:20Z) - Quantum Non-equilibrium Many-Body Spin-Photon Systems [91.3755431537592]
dissertation concerns the quantum dynamics of strongly-correlated quantum systems in out-of-equilibrium states.
Our main results can be summarized in three parts: Signature of Critical Dynamics, Driven Dicke Model as a Test-bed of Ultra-Strong Coupling, and Beyond the Kibble-Zurek Mechanism.
arXiv Detail & Related papers (2020-07-23T19:05:56Z)
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.