Benchmarking the variational quantum eigensolver through simulation of the ground state energy of prebiotic molecules on high-performance computers

Lolur, Phalgun; Rahm, Martin; Skogh, Mårten; García-Álvarez, Laura; Wendin, Göran

doi:10.1063/5.0054915

Cited by 15 publications

(17 citation statements)

References 13 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For example, a small molecule like HCN can be described (STO-6G basis) with N = 14 and d ≈ 3000 ≈ 200N [72]. Similarly, HCN (6-31G basis) can be described using Qiskit with N = 69 and d = 6 × 10 6 ∼ 87000N [73]. These huge circuit depths can most likely be reduced with improved compilation methods (see e.g.…”

Section: Relevance Of Metrics For Usefulnessmentioning

confidence: 99%

See 1 more Smart Citation

Quantum information processing with superconducting circuits: a perspective

Wendin¹

2023

Preprint

View full text Add to dashboard Cite

The last five years have seen a dramatic evolution of platforms for quantum computing, taking the field from physics experiments to quantum hardware and software engineering. Nevertheless, despite this progress of quantum processors, the field is still in the noisy intermediate-scale quantum (NISQ) regime, seriously limiting the performance of software applications. Key issues involve how to achieve quantum advantage in useful applications for quantum optimization and materials science, connected to the concept of quantum supremacy first demonstrated by Google in 2019. In this article we will describe recent work to establish relevant benchmarks for quantum supremacy and quantum advantage, present recent work on applications of variational quantum algorithms for optimization and electronic structure determination, discuss how to achieve practical quantum advantage, and finally outline current work and ideas about how to scale up to competitive quantum systems.

show abstract

Section: Relevance Of Metrics For Usefulnessmentioning

confidence: 99%

“…For an overview of applications to chemistry, see reviews [116][117][118] and specific applications [45,72,73,114,[119][120][121][122][123][124][125][126][127][128][129][130][131].…”

Section: Vqe Applied To Chemistrymentioning

confidence: 99%

Quantum information processing with superconducting circuits: a perspective

Wendin¹

2023

Preprint

View full text Add to dashboard Cite

show abstract

“…In practice, the VQE -and perhaps most classical-quantum hybrid schemes -also needs QPUs with extremely long coherence times for useful applications. Currently, the VQE can only be applied to fairly small molecules for proof-of-principle experimental demonstration of QC (Lolur et al, 2020). On the other hand, it provides a useful platform for benchmarking NISQ quantum hardware and for developing software and user interfaces.…”

Section: Experimental Progress In Quantum Computingmentioning

confidence: 99%

“…g Sokolov et al (2020)Nam et al (2020);Takeshita et al (2019);Lolur et al (2020)). The recipe for the quantum trial function is constructed classically by generating excitations from a molecular reference state, involving a large number of variational parameters to achieve chemical accuracy.…”

mentioning

confidence: 99%

Quantum Technology for Economists

Hull¹,

Sattath²,

Diamanti³

et al. 2020

Preprint

View full text Add to dashboard Cite

Research on quantum technology spans multiple disciplines: physics, computer science, engineering, and mathematics. The objective of this manuscript is to provide an accessible introduction to this emerging field for economists that is centered around quantum computing and quantum money. We proceed in three steps. First, we discuss basic concepts in quantum computing and quantum communication, assuming knowledge of linear algebra and statistics, but not of computer science or physics. This covers fundamental topics, such as qubits, superposition, entanglement, quantum circuits, oracles, and the no-cloning theorem. Second, we provide an overview of quantum money, an early invention of the quantum communication literature that has recently been partially implemented in an experimental setting. One form of quantum money offers the privacy and anonymity of physical cash, the option to transact without the involvement of a third party, and the efficiency and convenience of a debit card payment. Such features cannot be achieved in combination with any other form of money. Finally, we review all existing quantum speedups that have been identified for algorithms used to solve and estimate economic models. This includes function approximation, linear systems analysis, Monte Carlo simulation, matrix inversion, principal component analysis, linear regression, interpolation, numerical differentiation, and true random number generation. We also discuss the difficulty of achieving quantum speedups and comment on common misconceptions about what is achievable with quantum computing.

show abstract

“…Hybrid quantum-classical algorithms like variational quantum eigensolver (VQE) [3] and its variants have been viewed as promising candidates that are compatible with NISQ devices for quantum simulation of chemical systems. Considerable progress centered around variational algorithms has been made in quantum simulations of molecular systems via both numerical [9][10][11][12][13] and experimental explorations [3][4][5][6][14][15][16]]. Yet the experimental capability is no more than 20 qubits.…”

Section: Introductionmentioning

confidence: 99%

Ab initio Quantum Simulation of Strongly Correlated Materials with Quantum Embedding

Dingshun

Cao

Sun

et al. 2023

Preprint

View full text Add to dashboard Cite

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules, ab initio simulation of solid-state materials on quantum computers is still in its early stage, mostly owing to the fact that the system size quickly becomes prohibitively large when approaching the thermodynamic limit. In this work, we introduce an orbital-based multi-fragment approach on top of the periodic density matrix embedding theory, resulting in a significantly smaller problem size for the current near-term quantum computer. We demonstrate the accuracy and efficiency of our method compared with the conventional methodologies and experiments on solid-state systems with complex electronic structures. These include spin polarized states of a hydrogen chain (1D-H), the equation of state of a boron nitride layer (h-BN) as well as the magnetic ordering in nickel oxide (NiO), a prototypical strongly correlated solid. Our results suggest that quantum embedding combined with a chemically intuitive fragmentation can greatly advance quantum simulation of realistic materials, thereby paving the way for solving important yet classically hard industrial problems on near-term quantum devices.

show abstract

Benchmarking the variational quantum eigensolver through simulation of the ground state energy of prebiotic molecules on high-performance computers

Cited by 15 publications

References 13 publications

Quantum information processing with superconducting circuits: a perspective

Quantum information processing with superconducting circuits: a perspective

Quantum Technology for Economists

Ab initio Quantum Simulation of Strongly Correlated Materials with Quantum Embedding

Contact Info

Product

Resources

About