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Abstract <p>The variational quantum algorithm (VQA) is designed to simulate an <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="11496_2025_9111_Article_IEq1.gif" Format="GIF" Height="14" Rendition="HTML" Resolution="72" Type="Linedraw" Width="18" /> </InlineMediaObject> <EquationSource Format="TEX">\(N\)</EquationSource> <!--PhysPart2570009Yushankhai-m1--> </InlineEquation>-particle wave function of an electronic system of molecules using programmable quantum computers. This brief review, presented at the International Workshop on Mathematical Problems of Quantum Information Technologies (May 2024, Dubna), traces the evolution of the algorithm from a version originating from the unitary coupled cluster method, UCCSD, in computational quantum chemistry to a new version, ADAPT-VQA, adapted for practical implementation on noisy intermediate-scale quantum (NISQ) computing devices.</p>

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Variational Quantum Algorithm for Computational Problems of Quantum Chemistry: from UCCSD-VQA to ADAPT-VQA

  • 期刊论文

  • 发表日期：

    2025年8月29日

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  • V. Yu. Yushankhai,
  • L. A. Siurakshina

摘要

Abstract

The variational quantum algorithm (VQA) is designed to simulate an \(N\) -particle wave function of an electronic system of molecules using programmable quantum computers. This brief review, presented at the International Workshop on Mathematical Problems of Quantum Information Technologies (May 2024, Dubna), traces the evolution of the algorithm from a version originating from the unitary coupled cluster method, UCCSD, in computational quantum chemistry to a new version, ADAPT-VQA, adapted for practical implementation on noisy intermediate-scale quantum (NISQ) computing devices.