Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

量子多体系のための有効模型アプローチによる電子相関解析と量子アルゴリズム開発：量子多体系としての電子化物への応用

志優 菅野, Shu Kanno

Published Mar 1, 2022• 0 citations
OpenAlex

Abstract

量子多体系のための有効模型アプローチによる電子相関解析と量子アルゴリズム開発：量子多体系としての電子化物への応用, Electron correlation analysis and quantum algorithm development by an effective model approach for quantum many-body systems; application to electrides as quantum many-body systems

Related papers

Next Generation Quantum Chemistry for Large Bio-Molecules

Hideo Sekino

巨大生体高分子への量子論の適用は新しい多体論を必要とするかもしれない。現存の量子化学的手法のそのままの形での拡張適用は理論的にも技術的にも破綻する可能性がある。生命科学に必要な精度を保障するにはシミュレーションにおける空間表現の問題が重要となる。次世代量子化学では半世紀以上にわたって使われているガウシアン基底を越える表現法が必要であろう。多重解像度多重ウェーブレット基底による分極率のような分子物性予測により、新しい効率の良い空間表現の試みを示した。また現在大規模量子化学計算の主流である密度汎関数法での物性算定の問題にも空間表現が関連している。

Journal of Computer Chemistry Japan•Jan 1, 2007•0 citations

量子多体系のための有効模型アプローチによる電子相関解析と量子アルゴリズム開発：量子多体系としての電子化物への応用

Shu Kanno

•Mar 1, 2022•0 citations

Elucidating Many-Body Effects in Molecular Core Spectra through Real-Time Approaches: Efficient Classical Approximations and a Quantum Perspective

Vibin Abraham, Priyabrata Senapati, Himadri Pathak +1 more

Accurately resolving many-body satellite features in molecular core-level spectra requires theoretical approaches that capture electron correlation both efficiently and systematically. The recently developed time-dependent double coupled-cluster (TD-dCC) ansatz achieves this by combining correlation effects from the N- and (N-1)-electron sectors, but its exact formulation remains computationally demanding. Here we introduce a hierarchy of cost-effective approximate TD-dCC ansatzes derived from truncated Baker-Campbell-Hausdorff (BCH) expansions, which preserve a single-similarity-transformation structure while retaining the essential correlation diagrams responsible for satellite formation. We further develop a detailed component analysis that isolates hole-mediated excitation pathways, which are correlated processes arising from the coupling between ground-state and ionized-state amplitudes. We use it to interpret quasiparticle and satellite features across the hierarchy. Applications to the single-impurity Anderson model and molecular systems (H2O and CH4) demonstrate that the approximate TD-dCC methods closely and efficiently reproduce exact many-body spectral features and quasiparticle weights. In parallel, we construct a fault-tolerant quantum signal processing algorithm for the core-hole Green's function, providing a scalable quantum route for simulating correlated core-level dynamics. Together, these developments establish complementary classical and quantum methodologies for quantitative, many-body-accurate core spectroscopy.

quant-pharXiv:2511.17985•Nov 25, 2025

The analysis of quantum network simulators

남서울대학교 컴퓨터소프트웨어학과 교수, Hyuncheol Kim

양자암호통신 시장의 신속한 도입과 확대를 위해서는 전용 링크와 네트워크로 구성된 양자암호 통신망을 구축하는 것을 넘어, 더 광범위한 인프라와 서비스 모델이 필요하다. 현재 단계에서는 실제 양자 통신망을 구축하고 이를 실질적으로 활용하는 연구 가 활발히 이루어지고 있지만, 초기 비용이 매우 높다는 점에서 큰 제약이 있다. 따라서 양자 통신망의 구성 및 활용연구를 효과 적으로 수행하기 위해서는 QKDNetSim, NetSquid, 그리고 SeQUeNCe와 같은 양자암호 통신망 시뮬레이션 툴에 대한 기본적인 조사와 활용 방안의 연구가 필수적이다. 본 논문에서는 오픈소스 양자암호 통신망 시뮬레이터의 요구사항과 각 툴의 특징을 체 계적으로 분석하였다. 이를 통해 시뮬레이터들이 제공하는 기능, 장점 및 단점을 비교하고, 이들 시뮬레이터를 활용하여 양자 통 신망의 성능을 극대화하고, 보다 안전하고 효율적인 양자암호통신 솔루션을 개발하는 데 필요한 통찰력을 제공하고자 한다.

Jouranl of Information and Security•Oct 31, 2024•0 citations

Quantum System中的自适应概率模型调整

Jincheng Zhang

Quantum system中的自适应概率模型调整旨在提高量子系统的可靠性。本研究提出了一种基于机器学习的自适应概率模型调整方法,通过对量子系统状态的动态分析,自动调整概率模型参数,从而实现自适应校正。我们的研究结果表明,该方法可以有效提高量子系统的量子精度和稳定性,并为量子计算领域提供了一种新的模型校正策略。

•Sep 6, 2026•0 citations

Quantum Simulation of Many-Body Effects in the Li$^-$, Be, and B$^+$ Isoelectronic Systems using the Variational Quantum Eigensolver Algorithm

Sumeet, V. S. Prasannaa, Bhanu Pratap Das +1 more

The emerging field of quantum simulation of many-body systems is widely recognized as a killer application of quantum computing. A crucial step towards realizing its full potential requires understanding the role of electron correlation effects that lie at the heart of such calculations. In this pilot study, we investigate the trends in the electron correlation effects in the ground state energies of atomic systems using the classical-quantum hybrid variational quantum eigensolver (VQE) algorithm. To facilitate a comparative analysis, we consider three isoelectronic systems, namely Li$^-$, Be, and B$^+$, that is, an anion, a neutral atom and a cation, respectively. We choose the unitary coupled-cluster (UCC) ansatz for our computations. We conduct a rigorous analysis of the factors that could affect the accuracy with which electron correlation effects can be captured, namely mappings, backend simulators, and basis sets. The obtained results are also compared with those calculated by using the full configuration interaction method, coupled-cluster theory and UCC method, on a classical computer. A noteworthy part of the study involves a careful analysis to find the number of shots required for calculations with Qiskit's QASM simulator backend, which mimics an ideal quantum computer, at which one can obtain results in very good agreement with those from a classical computer.

•Jan 14, 2021•0 citations
量子多体系のための有効模型アプローチによる電子相関解析と量子アルゴリズム開発：量子多体系としての電子化物への応用, Electron correlation analysis and quantum algorithm development by an effective model approach for quantum many-body systems; application to electrides as quantum many-body systems
巨大生体高分子への量子論の適用は新しい多体論を必要とするかもしれない。現存の量子化学的手法のそのままの形での拡張適用は理論的にも技術的にも破綻する可能性がある。生命科学に必要な精度を保障するにはシミュレーションにおける空間表現の問題が重要となる。次世代量子化学では半世紀以上にわたって使われているガウシアン基底を越える表現法が必要であろう。多重解像度多重ウェーブレット基底による分極率のような分子物性予測により、新しい効率の良い空間表現の試みを示した。また現在大規模量子化学計算の主流である密度汎関数法での物性算定の問題にも空間表現が関連している。
Accurately resolving many-body satellite features in molecular core-level spectra requires theoretical approaches that capture electron correlation both efficiently and systematically. The recently developed time-dependent double coupled-cluster (TD-dCC) ansatz achieves this by combining correlation effects from the N- and (N-1)-electron sectors, but its exact formulation remains computationally demanding. Here we introduce a hierarchy of cost-effective approximate TD-dCC ansatzes derived from truncated Baker-Campbell-Hausdorff (BCH) expansions, which preserve a single-similarity-transformation structure while retaining the essential correlation diagrams responsible for satellite formation. We further develop a detailed component analysis that isolates hole-mediated excitation pathways, which are correlated processes arising from the coupling between ground-state and ionized-state amplitudes. We use it to interpret quasiparticle and satellite features across the hierarchy. Applications to the single-impurity Anderson model and molecular systems (H2O and CH4) demonstrate that the approximate TD-dCC methods closely and efficiently reproduce exact many-body spectral features and quasiparticle weights. In parallel, we construct a fault-tolerant quantum signal processing algorithm for the core-hole Green's function, providing a scalable quantum route for simulating correlated core-level dynamics. Together, these developments establish complementary classical and quantum methodologies for quantitative, many-body-accurate core spectroscopy.
양자암호통신 시장의 신속한 도입과 확대를 위해서는 전용 링크와 네트워크로 구성된 양자암호 통신망을 구축하는 것을 넘어, 더 광범위한 인프라와 서비스 모델이 필요하다. 현재 단계에서는 실제 양자 통신망을 구축하고 이를 실질적으로 활용하는 연구 가 활발히 이루어지고 있지만, 초기 비용이 매우 높다는 점에서 큰 제약이 있다. 따라서 양자 통신망의 구성 및 활용연구를 효과 적으로 수행하기 위해서는 QKDNetSim, NetSquid, 그리고 SeQUeNCe와 같은 양자암호 통신망 시뮬레이션 툴에 대한 기본적인 조사와 활용 방안의 연구가 필수적이다. 본 논문에서는 오픈소스 양자암호 통신망 시뮬레이터의 요구사항과 각 툴의 특징을 체 계적으로 분석하였다. 이를 통해 시뮬레이터들이 제공하는 기능, 장점 및 단점을 비교하고, 이들 시뮬레이터를 활용하여 양자 통 신망의 성능을 극대화하고, 보다 안전하고 효율적인 양자암호통신 솔루션을 개발하는 데 필요한 통찰력을 제공하고자 한다.
Quantum Simulation of Many-Body Effects in the Li−^-−, Be, and B+^++ Isoelectronic Systems using the Variational Quantum Eigensolver Algorithm
The emerging field of quantum simulation of many-body systems is widely recognized as a killer application of quantum computing. A crucial step towards realizing its full potential requires understanding the role of electron correlation effects that lie at the heart of such calculations. In this pilot study, we investigate the trends in the electron correlation effects in the ground state energies of atomic systems using the classical-quantum hybrid variational quantum eigensolver (VQE) algorithm. To facilitate a comparative analysis, we consider three isoelectronic systems, namely Li−^-−, Be, and B+^++, that is, an anion, a neutral atom and a cation, respectively. We choose the unitary coupled-cluster (UCC) ansatz for our computations. We conduct a rigorous analysis of the factors that could affect the accuracy with which electron correlation effects can be captured, namely mappings, backend simulators, and basis sets. The obtained results are also compared with those calculated by using the full configuration interaction method, coupled-cluster theory and UCC method, on a classical computer. A noteworthy part of the study involves a careful analysis to find the number of shots required for calculations with Qiskit's QASM simulator backend, which mimics an ideal quantum computer, at which one can obtain results in very good agreement with those from a classical computer.