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Designing compact and accurate circuits for the variational quantum eigensolver (VQE) is a central challenge in near-term quantum chemistry. Existing adaptive methods such as ADAPT-VQE design circuits by iteratively selecting operators from…

Quantum Physics · Physics 2026-05-28 Jianpeng Chen , Zirui Sheng , Cunxi Gong , Weitang Li

The variational quantum eigensolver (VQE) algorithm recently became a popular method to compute quantum chemical properties of molecules on noisy intermediate scale quantum (NISQ) devices. In order to avoid noise accumulation from the NISQ…

Quantum Physics · Physics 2023-08-29 Seyed Ehsan Ghasempouri , Gerhard W. Dueck , Stijn De Baerdemacker

Efficiently mapping quantum programs onto Distributed quantum computing (DQC) are challenging, particularly when considering the heterogeneous quantum processing units (QPUs) with different structures. In this paper, we present a…

Quantum Physics · Physics 2026-01-06 Ruilin Zhou , Jinglei Cheng , Yuhang Gan , Junyu Liu , Chen Qian

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Quantum computers have emerged as a promising platform to simulate the strong electron correlation that is crucial to catalysis and photochemistry. However, owing to the choice of a trial wave function employed in the popular hybrid…

Chemical Physics · Physics 2023-07-17 Fabijan Pavošević , Ivano Tavernelli , Angel Rubio

Despite advances in the development of quantum computers, the practical application of quantum algorithms requiring deep circuit depths or high-fidelity transformations remains outside the current range of the so-called noisy…

The Variational Quantum Eigensolver (VQE) is a quantum algorithm used to find the ground state energy of a given Hamiltonian. The key component of VQE is the ansatz, which is a trial wavefunction that the algorithm uses to approximate the…

Quantum Physics · Physics 2023-10-05 Yilin Shen

The Variational Quantum Eigensolver (VQE) is a promising algorithm for future Noisy Intermediate-Scale Quantum (NISQ) devices to simulate chemical systems. In this paper, we consider the classical simulation of the iterative Qubit Coupled…

Quantum Physics · Physics 2025-02-27 Damian S. Steiger , Thomas Häner , Scott N. Genin , Helmut G. Katzgraber

The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…

Quantum Physics · Physics 2022-06-09 Jie Liu , Lingyun Wan , Zhenyu Li , Jinlong Yang

We propose a quantum error mitigation strategy for the variational quantum eigensolver (VQE) algorithm. We find, via numerical simulation, that very small amounts of coherent noise in VQE can cause substantially large errors that are…

Efficient and effective compilation of quantum circuits remains an important aspect of executing quantum programs. In this paper, we propose a generic compilation framework particularly suitable for limited connectivity, that extends many…

Quantum Physics · Physics 2024-12-11 Adam Glos , Özlem Salehi

Variational Quantum Eigensolver (VQE) is a hybrid algorithm for finding the minimum eigenvalue/vector of a given Hamiltonian by optimizing a parametrized quantum circuit (PQC) using a classical computer. Sequential optimization methods,…

Quantum Physics · Physics 2024-05-17 Katsuhiro Endo , Yuki Sato , Rudy Raymond , Kaito Wada , Naoki Yamamoto , Hiroshi C. Watanabe

This paper presents a deep reinforcement learning approach for synthesizing unitaries into quantum circuits. Unitary synthesis aims to identify a quantum circuit that represents a given unitary while minimizing circuit depth, total gate…

Clustering is a fundamental task for analyzing unlabeled data based solely on its underlying distribution. Spectral clustering is a clustering method that represents a dataset as a graph and uses the relationships between data points.…

Quantum Physics · Physics 2025-04-01 Hyeong-Gyu Kim , Siheon Park , June-Koo Kevin Rhee

Universal compilation is a training process that compiles a trainable unitary into a target unitary and it serves vast potential applications from quantum dynamic simulations to optimal circuits with deep-compressing, device benchmarking,…

Quantum Physics · Physics 2022-04-26 Vu Tuan Hai , Le Bin Ho

Development of resource-friendly quantum algorithms remains highly desirable for noisy intermediate-scale quantum computing. Based on the variational quantum eigensolver (VQE) with unitary coupled cluster ansatz, we demonstrate that…

Quantum computing carries significant potential for addressing practical problems. However, currently available quantum devices suffer from noisy quantum gates, which degrade the fidelity of executed quantum circuits. Therefore, quantum…

Quantum Physics · Physics 2025-02-25 Ji Liu , Alvin Gonzales , Benchen Huang , Zain Hamid Saleem , Paul Hovland

Reducing circuit depth is essential for implementing quantum simulations of electronic structure on near-term quantum devices. In this work, we propose a variational quantum eigensolver (VQE) based perturbation theory algorithm to…

Quantum Physics · Physics 2024-01-17 Jie Liu , Zhenyu Li , Jinlong Yang

Resource-efficient and high-precision approximate synthesis of quantum circuits expressed in the Clifford+T gate set is vital for Fault-Tolerant quantum computing. Efficient optimal methods are known for single-qubit RZ unitaries, otherwise…

Quantum Physics · Physics 2026-04-27 Mathias Weiden , Justin Kalloor , John Kubiatowicz , Ed Younis , Costin Iancu

We present an algorithm for compiling arbitrary unitaries into a sequence of gates native to a quantum processor. As accurate CNOT gates are hard for the foreseeable Noisy- Intermediate-Scale Quantum devices era, our A* inspired algorithm…

Emerging Technologies · Computer Science 2019-12-09 Marc Grau Davis , Ethan Smith , Ana Tudor , Koushik Sen , Irfan Siddiqi , Costin Iancu