Optimizing the number of measurements for vibrational structure on quantum computers: coordinates and measurement schemes

Fuente: arXiv
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Autores principales: Majland, Marco, Jensen, Rasmus Berg, Højlund, Mads Greisen, Zinner, Nikolaj Thomas, Christiansen, Ove
Formato: Preprint
Publicado: 2022
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author Majland, Marco
Jensen, Rasmus Berg
Højlund, Mads Greisen
Zinner, Nikolaj Thomas
Christiansen, Ove
author_facet Majland, Marco
Jensen, Rasmus Berg
Højlund, Mads Greisen
Zinner, Nikolaj Thomas
Christiansen, Ove
contents One of the primary challenges prohibiting demonstrations of practical quantum advantages for near-term devices amounts to excessive measurement overheads for estimating relevant physical quantities such as ground state energies. However, with major differences between the electronic and vibrational structure of molecules, the question of how the resource requirements of computing anharmonic, vibrational states can be reduced remains relatively unexplored compared to its electronic counterpart. Importantly, bosonic commutation relations, distinguishable Hilbert spaces and vibrational coordinates allow manipulations of the vibrational system that can be exploited to minimize resource requirements. In this work, we investigate the impact of different coordinate systems and measurement schemes on the number of measurements needed to estimate anharmonic, vibrational states for a variety of three-mode (six-mode) molecules. We demonstrate an average of 3-fold (1.5-fold), with up to 7-fold (2.5-fold), reduction in the number of measurements required by employing appropriate coordinate transformations, based on an automized construction of qubit Hamiltonians from a conventional vibrational structure program.
format Preprint
id arxiv_https___arxiv_org_abs_2211_11615
institution arXiv
publishDate 2022
record_format arxiv
spellingShingle Optimizing the number of measurements for vibrational structure on quantum computers: coordinates and measurement schemes
Majland, Marco
Jensen, Rasmus Berg
Højlund, Mads Greisen
Zinner, Nikolaj Thomas
Christiansen, Ove
Quantum Physics
One of the primary challenges prohibiting demonstrations of practical quantum advantages for near-term devices amounts to excessive measurement overheads for estimating relevant physical quantities such as ground state energies. However, with major differences between the electronic and vibrational structure of molecules, the question of how the resource requirements of computing anharmonic, vibrational states can be reduced remains relatively unexplored compared to its electronic counterpart. Importantly, bosonic commutation relations, distinguishable Hilbert spaces and vibrational coordinates allow manipulations of the vibrational system that can be exploited to minimize resource requirements. In this work, we investigate the impact of different coordinate systems and measurement schemes on the number of measurements needed to estimate anharmonic, vibrational states for a variety of three-mode (six-mode) molecules. We demonstrate an average of 3-fold (1.5-fold), with up to 7-fold (2.5-fold), reduction in the number of measurements required by employing appropriate coordinate transformations, based on an automized construction of qubit Hamiltonians from a conventional vibrational structure program.
title Optimizing the number of measurements for vibrational structure on quantum computers: coordinates and measurement schemes
topic Quantum Physics
url https://arxiv.org/abs/2211.11615