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In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…

Quantum Physics · Physics 2025-11-17 Fabian Langkabel , Stefan Knecht , Jakob S. Kottmann

We present a hybrid scheme for quantum computation that combines the modular structure of elementary building blocks used in the circuit model with the advantages of a measurement-based approach to quantum computation. We show how to…

Quantum Physics · Physics 2014-06-24 M. Zwerger , H. J. Briegel , W. Dür

Optimizing quantum circuits is critical for enhancing computational speed and mitigating errors caused by quantum noise. Effective optimization must be achieved without compromising the correctness of the computations. This survey explores…

Quantum Physics · Physics 2025-01-03 Krishnageetha Karuppasamy , Varun Puram , Stevens Johnson , Johnson P Thomas

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

We explore quantum chaos diagnostics of variational circuit states at random parameters and study their correlation with the circuit expressibility and the optimization of control parameters. By measuring the operator spreading coefficient…

Quantum Physics · Physics 2023-03-01 Joonho Kim , Yaron Oz , Dario Rosa

Variational quantum circuits characterise the state of a quantum system through the use of parameters that are optimised using classical optimisation procedures that typically rely on gradient information. The circuit-execution complexity…

Quantum Physics · Physics 2023-07-28 Sayantan Pramanik , Chaitanya Murti , M Girish Chandra

Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…

Quantum Physics · Physics 2018-10-24 Rongxin Xia , Sabre Kais

Variational quantum circuits build the foundation for various classes of quantum algorithms. In a nutshell, the weights of a parametrized quantum circuit are varied until the empirical sampling distribution of the circuit is sufficiently…

Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. To-date, experimental demonstrations of algorithms such as…

Chemical Physics · Physics 2023-10-18 Joel Bierman , Yingzhou Li , Jianfeng Lu

Developing methods to accurately characterize and mitigate the impact of noise is crucial for enhancing the fidelity of quantum simulations on Noisy Intermediate-Scale Quantum (NISQ) devices. In this work, we present a circuit…

Quantum Physics · Physics 2025-09-11 Ruizhe Shen , Tianqi Chen , Ching Hua Lee

Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers,…

Quantum Physics · Physics 2023-01-03 Frank T. Cerasoli , Kyle Sherbert , Jagoda Sławińska , Marco Buongiorno Nardelli

Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the…

Quantum Physics · Physics 2022-06-23 Guanglei Xu , Yi-Bin Guo , Xuan Li , Zong-Sheng Zhou , Hai-Jun Liao , T. Xiang

As a hybrid quantum-classical algorithm, the variational quantum eigensolver is widely applied in quantum chemistry simulations, especially in computing the electronic structure of complex molecular systems. However, on existing noisy…

Quantum Physics · Physics 2025-01-28 Wanqi Sun , Jungang Xu , Chenghua Duan

Quantum variational optimization has been posed as an alternative to solve optimization problems faster and at a larger scale than what classical methods allow. In this paper we study systematically the role of entanglement, the structure…

Quantum Physics · Physics 2021-12-30 Pablo Díez-Valle , Diego Porras , Juan José García-Ripoll

We present a classically solvable model that leads to optimized low-depth quantum circuits leveraging separable pair approximations. The obtained circuits are well suited as a baseline circuit for emerging quantum hardware and can, in the…

Quantum Physics · Physics 2022-04-07 Jakob S. Kottmann , Alán Aspuru-Guzik

Current structure optimization algorithms optimize the structure of quantum circuit from scratch for each new task of variational quantum algorithms (VQAs) without using any prior experience, which is inefficient and time-consuming.…

Quantum Physics · Physics 2022-04-12 Chuangtao Chen , Zhimin He , Shenggen Zheng , Yan Zhou , Haozhen Situ

Compiling a high-level quantum circuit down to a low-level description that can be executed on state-of-the-art quantum computers is a crucial part of the software stack for quantum computing. One step in compiling a quantum circuit to some…

Quantum Physics · Physics 2023-04-20 Tom Peham , Lukas Burgholzer , Robert Wille

Quantum computing presents a promising path toward precise quantum chemical simulations, particularly for systems that challenge classical methods. This work investigates the performance of the Variational Quantum Eigensolver (VQE) in…

Quantum Physics · Physics 2025-10-28 Zakaria Boutakka , Nouhaila Innan , Muhammed Shafique , Mohamed Bennai , Z. Sakhi

The individual optimization of quantum circuit parameters is currently one of the main practical bottlenecks in variational quantum eigensolvers for electronic systems. To this end, several machine learning approaches have been proposed to…

Quantum Physics · Physics 2025-11-06 Davide Bincoletto , Korbinian Stein , Jonas Motyl , Jakob S. Kottmann