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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…

Interacting spin systems in solids underpin a wide range of quantum technologies, from quantum sensors and single-photon sources to spin-defect-based quantum registers and processors. We develop a quantum-computer-aided framework for…

Quantum Physics · Physics 2026-01-30 Juan Naranjo , Thi Ha Kyaw , Gaurav Saxena , Kevin Ferreira , Jack S. Baker

The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian…

Quantum Physics · Physics 2025-04-17 Ashutosh Singh , Pooja Siwach , P. Arumugam

Quantum signal processing (QSP) is a powerful toolbox for the design of quantum algorithms and can lead to asymptotically optimal computational costs. Its realization on noisy quantum computers without fault tolerance, however, is…

Quantum Physics · Physics 2023-09-28 Yuta Kikuchi , Conor Mc Keever , Luuk Coopmans , Michael Lubasch , Marcello Benedetti

Hybrid quantum systems with different particle species are fundamental in quantum materials and quantum information science. In this work, we establish a rigorous theoretical framework proving that, given access to an unknown spin-boson…

Quantum Physics · Physics 2025-05-01 Lixing Zhang , Ze-Xun Lin , Prineha Narang , Di Luo

Simulating quantum dynamics is expected to be performed more easily on a quantum computer than on a classical computer. However, the currently available quantum devices lack the capability to implement fault-tolerant quantum algorithms for…

Quantum Physics · Physics 2022-02-28 Kian Hwee Lim , Tobias Haug , Leong Chuan Kwek , Kishor Bharti

We present a quantum algorithmic framework for simulating linear, anti-Hermitian (lossless) wave equations in heterogeneous, anisotropic, and time-independent media. This framework encompasses a broad class of wave equations, including the…

Quantum Physics · Physics 2025-02-06 Cyrill Bösch , Malte Schade , Giacomo Aloisi , Scott D. Keating , Andreas Fichtner

Nonlinear spectroscopy is a cornerstone of quantum science, providing unique access to multi-point correlations, quantum coherence, and couplings that are invisible to linear methods. However, classical simulation of these phenomena is…

Quantum Physics · Physics 2026-04-20 Long Xiong , Xiaoyang Wang , Xiaoxia Cai , Xiao Yuan

Quantum Chemistry and Physics have been pinpointed as killer applications for quantum computers, and quantum algorithms have been designed to solve the Schr\"odinger equation with the wavefunction formalism. It is yet limited to small…

Quantum Physics · Physics 2023-03-29 Bruno Senjean , Saad Yalouz , Matthieu Saubanère

The quantum Fourier transform and quantum wavelet transform have been cornerstones of quantum information processing. However, for non-stationary signals and anomaly detection, the Hilbert transform can be a more powerful tool, yet no prior…

Quantum Physics · Physics 2026-01-19 Henry Zhang , Joseph Li

The performance of computational methods for many-body physics and chemistry is strongly dependent on the choice of basis used to cast the problem; hence, the search for better bases and similarity transformations is important for progress…

Hybrid quantum-classical (HQC) algorithms make it possible to use near-term quantum devices supported by classical computational resources by useful control schemes. In this paper, we develop an HQC algorithm using an efficient variational…

Quantum Physics · Physics 2020-08-13 Mahmoud Mahdian , H. Davoodi Yeganeh

Hybrid variational quantum algorithms are promising for solving practical problems, such as combinatorial optimization, quantum chemistry simulation, quantum machine learning, and quantum error correction on noisy quantum computers.…

Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…

Quantum Physics · Physics 2020-06-25 Andrew Zhao , Andrew Tranter , William M. Kirby , Shu Fay Ung , Akimasa Miyake , Peter Love

Various Hamiltonian simulation algorithms have been proposed to efficiently study the dynamics of quantum systems on a quantum computer. The existing algorithms generally approximate the time evolution operators, which may need a deep…

Quantum Physics · Physics 2024-03-14 Zi-Jian Zhang , Jinzhao Sun , Xiao Yuan , Man-Hong Yung

Many exponential speedups that have been achieved in quantum computing are obtained via hidden subgroup problems (HSPs). We show that the HSP over Weyl-Heisenberg groups can be solved efficiently on a quantum computer. These groups are…

Quantum Physics · Physics 2013-12-05 Hari Krovi , Martin Roetteler

We demonstrate that the dynamics of an open quantum system can be calculated efficiently and with predefined error, provided a basis exists in which the system-environment interactions are local and hence obey the Lieb-Robinson bound. We…

Quantum Physics · Physics 2015-03-19 Giulia Gualdi , Christiane P. Koch

Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…

Chemical Physics · Physics 2021-10-29 Manas Sajjan , Shree Hari Sureshbabu , Sabre Kais

The accurate computational study of wavepacket nuclear dynamics is considered to be a classically intractable problem, particularly with increasing dimensions. Here we present two algorithms that, in conjunction with other methods developed…

Quantum Physics · Physics 2025-12-30 Debadrita Saha , Philip Richerme , Srinivasan S. Iyengar

Quantum computing is increasingly offering concrete solutions toward the simulation of nuclear structure, with the potential to overcome the exponential scaling that limits classical diagonalization methods in large spaces. A particularly…

Nuclear Theory · Physics 2026-04-14 Emanuele Costa , Javier Menendez
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