Quantum Computing 2022

Whitfield, James D.; Yang, Jing; Wang, Weishi; Heath, Joshuah T.; Harrison, Brent

doi:10.48550/arxiv.2201.09877

Cited by 2 publications

(2 citation statements)

References 72 publications

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“…20,21 We believe that flexible control and comparable design of basis sets play a crucial role in developing and benchmarking electronic structure algorithms in the NISQ era, when finding the boundary between classical and quantum computational power is vital for exploring practical quantum primacy. 15,22,23 Hence, we propose a unified framework for generating and optimizing various composite basis sets based on Gaussian-type orbitals (GTOs). This framework has been realized in an opensource software toolkit we developed, Quiqbox.jl (Quiqbox), 24 using the Julia programming language.…”

Section: Introductionmentioning

confidence: 99%

Basis Set Generation and Optimization in the NISQ Era with Quiqbox.jl

Wang,

Whitfield

2023

J. Chem. Theory Comput.

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In the noisy intermediate-scale quantum era, ab initio computation of electronic structure problems has become one of the major benchmarks for identifying the boundary between classical and quantum computational power. Basis sets play a key role in the electronic structure methods implemented on both classical and quantum devices. To investigate the consequences of single-particle basis sets, we propose a framework for more customizable basis set generation and optimization. This framework allows composite basis sets to go beyond typical basis set frameworks, such as atomic basis sets, by introducing the concept of mixed-contracted Gaussiantype orbitals. These basis set generations set the stage for more flexible variational optimization of basis set parameters. To realize this framework, we have developed an open-source software package named "Quiqbox" in the Julia programming language. We demonstrate various examples of using Quiqbox for basis set optimization and generation, ranging from optimizing atomic basis sets on the Hartree− Fock level, preparing the initial state for variational quantum eigensolver computation, and constructing basis sets with completely delocalized orbitals. We also include various benchmarks of Quiqbox for basis set optimization and ab initial electronic structure computation.

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Section: Introductionmentioning

confidence: 99%

Basis Set Generation and Optimization in the NISQ Era with Quiqbox.jl

Wang,

Whitfield

2023

J. Chem. Theory Comput.

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“…Precise and robust control of quantum systems is a requirement to take advantage of the great promise of quantum technologies; potentially surpassing theoretical bounds of the performance of current technologies for application in the areas of sensing [1,2], communication [3], and computing [4,5]. However, the sensitivity of quantum systems to undesired environmental influences and device imperfections has proven a major roadblock in the development of quantum technologies.…”

Section: Introductionmentioning

confidence: 99%

Provably Optimal Control for Multiplicative Amplitude Control Noise

Trout¹,

Schultz²,

Titum³

et al. 2022

Preprint

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We provide a technique to obtain provably optimal control sequences for quantum systems under the influence of time-correlated multiplicative control noise. Utilizing the circuit-level noise model introduced in [Phys. Rev. Research 3, 033229(2021)], we show that we can map the problem of finding such a sequence to a convex optimization problem with guaranteed optimality that follows from the convexity. We also show that this technique is compatible with more general off-axis timecorrelated dephasing noise. In spite of losing provable optimality, numerically optimized control sequences under this scenario can still achieve nearly optimal performance when the control noise is strong relative to the dephasing contribution. This approach will enable the development of optimal quantum logic gates in systems where noise due to amplitude drifts in the control is strong relative to dephasing such as in ion-trap based quantum computers or in the limit of fast control.I.

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Quantum Computing 2022

Cited by 2 publications

References 72 publications

Basis Set Generation and Optimization in the NISQ Era with Quiqbox.jl

Basis Set Generation and Optimization in the NISQ Era with Quiqbox.jl

Provably Optimal Control for Multiplicative Amplitude Control Noise

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