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Modelling and predicting protein configurations is crucial for advancing drug discovery, enabling the design of treatments for life-threatening diseases. A critical aspect of this challenge is rotamer optimisation - the determination of…

Quantum Physics · Physics 2025-07-28 Anastasia Agathangelou , Dilhan Manawadu , Ivano Tavernelli

Quantum phase estimation (QPE) is a promising quantum algorithm for obtaining molecular ground-state energies with chemical accuracy. However, its computational cost, dominated by the Hamiltonian 1-norm $\lambda$ and the cost of the block…

Near-term quantum devices generally suffer from shallow circuit depth and hence limited expressivity due to noise and decoherence. To address this, we propose tensor-network-assisted parametrized quantum circuits, which concatenate a…

Quantum Physics · Physics 2023-12-01 Junxiang Huang , Wenhao He , Yukun Zhang , Yusen Wu , Bujiao Wu , Xiao Yuan

Despite significant progress in quantum computing in recent years, executing quantum circuits for practical problems remains challenging due to error-prone quantum hardware. Hence, quantum error correction becomes essential but induces…

Quantum Physics · Physics 2025-09-04 Tobias Forster , Nils Quetschlich , Mathias Soeken , Robert Wille

By taking into account the physical nature of quantum errors it is possible to improve the efficiency of quantum error correction. Here we consider an optimisation to conventional quantum error correction which involves exploiting…

Quantum Physics · Physics 2007-09-26 Z. W. E. Evans , A. M. Stephens , J. H. Cole , L. C. L. Hollenberg

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

Advances in quantum computation for electronic structure, and particularly heuristic quantum algorithms, create an ongoing need to characterize the performance and limitations of these methods. Here we discuss some potential pitfalls…

Quantum Physics · Physics 2023-08-08 Ruhee D'Cunha , T. Daniel Crawford , Mario Motta , Julia E. Rice

Reliable preparation of entanglement between distant systems is an outstanding problem in quantum information science and quantum communication. In practice, this has to be accomplished via noisy channels (such as optical fibers) that…

Quantum Physics · Physics 2007-11-01 Liang Jiang , Jacob M. Taylor , Navin Khaneja , Mikhail D. Lukin

While adiabatic quantum computing (AQC) has some robustness to noise and decoherence it is widely believed that encoding, error suppression and error correction will be required to scale AQC to large problem sizes. Previous works have…

Quantum Physics · Physics 2014-01-06 Mohan Sarovar , Kevin C. Young

The design of nonlinear superconducting quantum circuits often relies on time-consuming iterative electromagnetic simulations requiring manual intervention. These interventions entail, for example, adjusting design variables such as…

Quantum bits have technological imperfections. Additionally, the capacity of a component that can be implemented feasibly is limited. Therefore, distributed quantum computation is required to scale up quantum computers. This dissertation…

Quantum Physics · Physics 2017-04-11 Shota Nagayama

Variational quantum algorithms (VQAs) are promising methods to demonstrate quantum advantage on near-term devices as the required resources are divided between a quantum simulator and a classical optimizer. As such, designing a VQA which is…

Quantum Physics · Physics 2022-05-20 Yuhan Huang , Qingyu Li , Xiaokai Hou , Rebing Wu , Man-Hong Yung , Abolfazl Bayat , Xiaoting Wang

Quantum computing is a promising paradigm that may overcome the current computational power bottlenecks. The increasing maturity of quantum processors provides more possibilities for the development and implementation of quantum algorithms.…

Quantum Physics · Physics 2025-10-15 Ge Yan , Wenjie Wu , Yuheng Chen , Kaisen Pan , Xudong Lu , Zixiang Zhou , Yuhan Wang , Ruocheng Wang , Junchi Yan

The increasing depth of quantum circuits presents a major limitation for the execution of quantum algorithms, as the limited coherence time of physical qubits leads to noise that manifests as errors during computation. In this work, we…

Quantum Physics · Physics 2026-03-24 Spyros Tserkis , Muhammad Umer , Dimitris G. Angelakis

Optimization is finding the best solution, which mathematically amounts to locating the global minimum of some cost function. Optimization is traditionally automated with digital or quantum computers, each having their limitations and none…

Statistical Mechanics · Physics 2021-11-16 Natalia B. Janson , Christopher J. Marsden

Quantum optimization, a key application of quantum computing, has traditionally been stymied by the linearly increasing complexity of gradient calculations with an increasing number of parameters. This work bridges the gap between Koopman…

Quantum Physics · Physics 2024-05-07 Di Luo , Jiayu Shen , Rumen Dangovski , Marin Soljačić

The wave function Ansatze are crucial in the context of the Variational Quantum Eigensolver (VQE). In the Noisy Intermediate-Scale Quantum era, the design of low-depth wave function Ansatze is of great importance for executing quantum…

Quantum Physics · Physics 2024-06-18 Zhijie Sun , Jie Liu , Zhenyu Li , Jinlong Yang

A balanced description of both static and dynamic correlations in electronic systems with nearly degenerate low-lying states presents a challenge for multi-configurational methods on classical computers. We present here a quantum algorithm…

Quantum machine learning is considered one of the flagship applications of quantum computers, where variational quantum circuits could be the leading paradigm both in the near-term quantum devices and the early fault-tolerant quantum…

Quantum Physics · Physics 2024-12-17 Yuqing Li , Jinglei Cheng , Xulong Tang , Youtao Zhang , Frederic T. Chong , Junyu Liu

Characterizing quantum dynamics is essential for quantifying arbitrary properties of a quantum process -- such as its ability to exhibit quantum-mechanical dynamics or generate entanglement. However, current methods require a number of…