Quantum algorithms for quantum dynamics: A performance study on the spin-boson model

Miessen, Alexander; Ollitrault, Pauline J.; Tavernelli, Ivano

doi:10.1103/physrevresearch.3.043212

Cited by 29 publications

(21 citation statements)

References 48 publications

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“…J.TavernelliI. Miessen, A. Ollitrault, P. J. Tavernelli, I. arXiv preprint2021 This work reports on a scaling study comparing a time-dependent variational quantum algorithm and a Trotter-based evolution for different spin-boson models.…”

Section: Key Referencesmentioning

confidence: 99%

“…On the other hand, the PESs required to propagate the nuclear wavepackets (using the Born–Huang expansion) can be obtained by repeating these calculations along the relevant nuclear coordinates. In this case, the quantum advantage will reside in the favorable scaling of encoding the nuclear degrees of freedom (see ref ). The next section will introduce quantum algorithmic approaches to address this task.…”

Section: Calculation Of the Potential Energy Surfacesmentioning

confidence: 99%

“…In practice, however, the stability of the dynamics depends on the system investigated and a number of numerical aspects, such as singular value cutoffs and errors associated with numerical integration. In ref , we report a detailed study on the influence of quantum hardware noise on the integration of eq .…”

Section: Quantum Algorithms For Quantum Dynamics Simulationsmentioning

confidence: 99%

“…Furthermore, as eluded to in previous sections, Trotter evolution is typically far too resource-intensive for applications on currently existing, near-term quantum hardware, while time-dependent VQAs appear as resource-efficient alternatives. Hence, complementary to the grid-based approach studied with Trotter evolution, in ref , we studied the problem of section in second quantization using a VQA as depicted in Figure b.…”

Section: Quantum Dynamics Of the Spin-boson Modelmentioning

confidence: 99%

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Molecular Quantum Dynamics: A Quantum Computing Perspective

2021

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Section: Key Referencesmentioning

confidence: 99%

Section: Calculation Of the Potential Energy Surfacesmentioning

confidence: 99%

Section: Quantum Algorithms For Quantum Dynamics Simulationsmentioning

confidence: 99%

Section: Quantum Dynamics Of the Spin-boson Modelmentioning

confidence: 99%

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Molecular Quantum Dynamics: A Quantum Computing Perspective

2021

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“…Hence, we adopt a time-dependent variational quantum algorithm (VQA) based on McLachlan’s principle and extend it to compute TCF . The VQA was first proposed to simulate the time evolution of wavefunction and has since been used to simulate dissipative quantum dynamics, linear equations, and Green’s function. − It has recently been experimentally demonstrated in superconducting quantum devices to simulate adiabatic quantum computing and energy transfer …”

Section: Introductionmentioning

confidence: 99%

Simulation of Condensed-Phase Spectroscopy with Near-Term Digital Quantum Computers

Lee

Hsieh

Zhang

et al. 2021

J. Chem. Theory Comput.

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Spectroscopy is an indispensable tool for understanding the structures and dynamics of molecular systems. However, computational modeling of spectroscopy is challenging due to the exponential scaling of computational complexity with system sizes unless drastic approximations are made. Quantum computers could potentially overcome these classically intractable computational tasks, but the existing approaches using quantum computers to simulate spectroscopy can only handle isolated and static molecules. In this work, we develop a workflow that combines multi-scale modeling and a time-dependent variational quantum algorithm to compute the linear spectroscopy of systems interacting with their condensed-phase environment via the relevant time correlation function. We demonstrate the feasibility of our approach by numerically simulating the UV−vis absorption spectra of organic semiconductors. We show that our dynamical approach captures several spectral features that are otherwise overlooked by static methods. Our method can be directly used for other linear condensed-phase spectroscopy and could potentially be extended to nonlinear multi-dimensional spectroscopy.

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