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Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describing vibrational motions. We introduce a new method that…

Quantum algorithms have been developed for efficiently solving linear algebra tasks. However, they generally require deep circuits and hence universal fault-tolerant quantum computers. In this work, we propose variational algorithms for…

Quantum Physics · Physics 2021-12-28 Xiaosi Xu , Jinzhao Sun , Suguru Endo , Ying Li , Simon C. Benjamin , Xiao Yuan

While most work on the quantum simulation of chemistry has focused on computing energy surfaces, a similarly important application requiring subtly different algorithms is the computation of energy derivatives. Almost all molecular…

Quantum chemistry is one of the most promising applications for which quantum computing is expected to have significant impact. Despite considerable research in the field of electronic structure, calculating the vibrational properties of…

Quantum Physics · Physics 2025-05-23 Marco Majland , Patrick Ettenhuber , Nikolaj Thomas Zinner , Ove Christiansen

Fault tolerant quantum simulation via the phase estimation algorithm and qubitization has a T-gate count that scales proportionally to the 1-norm of the Hamiltonian, the cost of block encoding the Hamiltonian, and inversely proportionally…

Quantum Physics · Physics 2025-04-14 Hirsh Kamakari , Emil Zak

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

Natural frequencies and normal modes are basic properties of a structure which play important roles in analyses of its vibrational characteristics. As their computation reduces to solving eigenvalue problems, it is a natural arena for…

Quantum Physics · Physics 2023-08-29 Yasunori Lee , Keita Kanno

Variational Quantum Algorithms are among the most promising systems to implement quantum computing under the Noisy-Intermediate Scale Quantum (NISQ) technology. In variational quantum algorithm, wavefunction represented by a parametrized…

Quantum Physics · Physics 2023-01-02 H. Davoodi Yeganeh

Quantum error correction is vital for implementing universal quantum computing. A key component is the encoding circuit that maps a product state of physical qubits into the encoded multipartite entangled logical state. Known methods are…

Quantum Physics · Physics 2021-04-07 Xiaosi Xu , Simon C. Benjamin , Xiao Yuan

Quantum computing can be employed in computer-aided music composition to control various attributes of the music at different structural levels. This article describes the application of quantum simulation to model compositional decision…

Quantum Physics · Physics 2025-05-28 Christopher Dobrian , Omar Costa Hamido

Variational quantum algorithms are of special importance in the research on quantum computing applications because of their applicability to current Noisy Intermediate-Scale Quantum (NISQ) devices. The main building blocks of these…

Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite lifetime. Hybrid algorithms leveraging classical resources have demonstrated promising initial results…

Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…

Quantum Physics · Physics 2024-11-05 Jakob Günther , Alberto Baiardi , Markus Reiher , Matthias Christandl

Quantum process characterization is a fundamental task in quantum information processing, yet conventional methods, such as quantum process tomography, require prohibitive resources and lack scalability. Here, we introduce an efficient…

Quantum Physics · Physics 2025-04-11 Yusen Wu , Yukun Zhang , Chuan Wang , Xiao Yuan

Quantum computers have the potential to transform the ways in which we tackle some important problems. The efforts by companies like Google, IBM and Microsoft to construct quantum computers have been making headlines for years. Equally…

Quantum Physics · Physics 2018-12-05 Raffaele Miceli , Michael McGuigan

We present quantum algorithms for the estimation of n-time correlation functions, the local and non-local density of states, and dynamical linear response functions. These algorithms are all based on block-encodings - a versatile technique…

Quantum Physics · Physics 2020-08-19 Patrick Rall

A new method for quantum computation in the presence of detected spontaneous emission is proposed. The method combines strong and fast (dynamical decoupling) pulses and a quantum error correcting code that encodes $n$ logical qubits into…

Quantum Physics · Physics 2009-11-10 K. Khodjasteh , D. A. Lidar

Quantum computing allows for the manipulation of highly correlated states whose properties quickly go beyond the capacity of any classical method to calculate. Thus one natural problem which could lend itself to quantum advantage is the…

Quantum Physics · Physics 2024-12-19 Kevin Lively , Tim Bode , Jochen Szangolies , Jian-Xin Zhu , Benedikt Fauseweh

Quantum computation is a subject of much theoretical promise, but has not been realized in large scale, despite the discovery of fault-tolerant procedures to overcome decoherence. Part of the reason is that the theoretically modest…

Computational Complexity · Computer Science 2007-05-23 Debbie W. Leung

We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…

Quantum Physics · Physics 2026-04-07 Michał Szczepanik , Ákos Nagy , Emil Żak