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Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…

Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations due to restricted numbers of high-fidelity qubits and short coherence times. To overcome these…

Quantum Physics · Physics 2026-04-23 Yuhan Zheng , Yibin Guo , Huili Zhang , Jie Liu , Xiongzhi Zeng , Xiaoxia Cai , Zhenyu Li , Jinlong Yang

The recent developments of quantum computing present potential novel pathways for quantum chemistry, as the increased computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems.…

Quantum Physics · Physics 2024-03-01 Lila Cadi Tazi , Alex J. W. Thom

The variational quantum eigen solver (VQE), has been widely used to find the ground state energy of different Hamiltonians with no analytical solutions and are classically difficult to compute. In our work, we have used VQE to identify the…

Quantum Physics · Physics 2026-01-08 Mrinal Dev , Shraddha Sharma

Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

Quantum Physics · Physics 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

This study introduces a novel minimalistic variational quantum ansatz inspired by algorithmic cooling principles. The proposed Heat Exchange algorithmic cooling ansatz (HE ansatz) facilitates efficient population redistribution without…

Quantum Physics · Physics 2025-01-29 Soyoung Shin , Ha Eum Kim , Hyeonjun Yeo , Kabgyun Jeong , Wonho Jhe , Jaewan Kim

Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report…

Quantum computing offers a potential for algorithmic speedups for applications, such as large-scale simulations in chemistry and physics. However, these speedups must yield results that are sufficiently accurate to predict realistic…

Quantum Physics · Physics 2025-01-15 Meenambika Gowrishankar , Daniel Claudino , Jerimiah Wright , Travis Humble

The Variational Quantum Eigensolver (VQE) is a promising candidate for quantum applications on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. Despite a lot of empirical studies and recent progress in theoretical understanding…

Quantum Physics · Physics 2022-05-26 Xuchen You , Shouvanik Chakrabarti , Xiaodi Wu

Quantum chemical calculations have attracted much attention as a practical application of quantum computing. Quantum computers can prepare superpositions of electronic states with various numbers of electrons on qubits. This special feature…

Chemical Physics · Physics 2024-03-29 Soichi Shirai , Takahiro Horiba , Hirotoshi Hirai

Assemblies of strongly interacting fermions, whether in a condensed-matter or a quantum chemistry context, range amongst the most promising candidate systems for which quantum computing platforms could provide an advantage. Near-term…

Quantum Physics · Physics 2024-06-21 Pauline Besserve , Michel Ferrero , Thomas Ayral

Ground-state estimation lies at the heart of a broad range of quantum simulations. Most near-term approaches are cast as variational energy minimization and thus inherit the challenges of problem-specific energy landscapes. We develop the…

Quantum Physics · Physics 2025-11-18 Kyunghyun Baek , Seungjin Lee , Joonsuk Huh , Dongkeun Lee , Jinhyoung Lee , M. S. Kim , Jeongho Bang

We report the experimental resource-efficient implementation of the variational quantum eigensolver (VQE) using four-dimensional photonic quantum states of single-photons. The four-dimensional quantum states are implemented by utilizing…

Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of $d$ and $f$ electron materials…

Quantum Physics · Physics 2023-01-09 Anirban Mukherjee , Noah F. Berthusen , João C. Getelina , Peter P. Orth , Yong-Xin Yao

We present a novel quantum algorithm for approximating the ground-state in quantum many-body systems, particularly suited for Noisy Intermediate-Scale Quantum (NISQ) devices. Our approach integrates Variational Quantum Eigensolvers (VQE)…

Quantum Physics · Physics 2024-03-18 Yihao Liu , Min-Quan He , Z. D. Wang

In this work, we introduce a new qubit mapping strategy for the Variational Quantum Eigensolver (VQE) applied to nuclear shell model calculations, where each Slater determinant (SD) is mapped to a qubit, rather than assigning qubits to…

Nuclear Theory · Physics 2026-04-14 Chandan Sarma , Paul Stevenson

Solving molecular energy levels via the Variational Quantum Eigensolver (VQE) algorithm represents one of the most promising applications for demonstrating practically meaningful quantum advantage in the noisy intermediate-scale quantum…

Chemical Physics · Physics 2025-12-25 Runhong He , Arapat Ablimit , Xin Hong , Qiaozhen Chai , Junyuan Zhou , Ji Guan , Guolong Cui , Shenggang Ying

Variational quantum eigensolver (VQE) is demonstrated to be the promising methodology for quantum chemistry based on near-term quantum devices. However, many problems are yet to be investigated for this methodology, such as the influences…

Chemical Physics · Physics 2021-01-18 Xian-Hu Zha , Chao Zhang , Dengdong Fan , Pengxiang Xu , Shiyu Du , Rui-Qin Zhang , Chen Fu

Recent research has shown that wavefunction evolution in real- and imaginary-time can generate quantum subspaces with significant utility for obtaining accurate ground state energies. Inspired by these methods, we propose combining quantum…

Quantum algorithms are promising candidates for the enhancement of computational efficiency for a variety of computational tasks, allowing for the numerical study of physical systems intractable to classical computers. In the Noisy…

Quantum Physics · Physics 2021-05-13 Marco Majland , Nikolaj Thomas Zinner