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Anharmonic potential quantum system play crucial role in physics as they provide a more realistic description of oscillatory phenomena, which often deviate from the idealized harmonic model. However, simulating such system on classical…

Quantum Physics · Physics 2025-10-08 Saurav Suman , Bikash K. Behera , Vivek Vyas , Prasanta k. Panigrahi

Chemically accurate and comprehensive studies of the virtual space of all possible molecules are severely limited by the computational cost of quantum chemistry. We introduce a composite strategy that adds machine learning corrections to…

Chemical Physics · Physics 2023-04-14 Raghunathan Ramakrishnan , Pavlo O. Dral , Matthias Rupp , O. Anatole von Lilienfeld

Understanding the impact of gate errors on quantum circuits is crucial to determining the potential applications of quantum computers, especially in the absence of large-scale error-corrected hardware. We put forward analytical arguments,…

Quantum Physics · Physics 2026-04-20 Eli Chertkov , Yi-Hsiang Chen , Michael Lubasch , David Hayes , Michael Foss-Feig

We demonstrate quantum simulations of strongly correlated nuclear many-body systems on the RIKEN-Quantinuum Reimei trapped-ion quantum computer, targeting ground states of oxygen, calcium, and nickel isotopes. By combining a hard-core-boson…

Nuclear Theory · Physics 2026-02-10 Sota Yoshida , Takeshi Sato , Takumi Ogata , Masaaki Kimura

We present a quantum chemistry benchmark for noisy intermediate-scale quantum computers that leverages the variational quantum eigensolver, active space reduction, a reduced unitary coupled cluster ansatz, and reduced density purification…

The Fermi-Hubbard model (FHM) is a simple yet rich model of strongly interacting electrons with complex dynamics and a variety of emerging quantum phases. These properties make it a compelling target for digital quantum simulation.…

Achieving quantum speedups in practical tasks remains challenging for current noisy intermediate-scale quantum (NISQ) devices. These devices always encounter significant obstacles such as inevitable physical errors and the limited…

Quantum Physics · Physics 2024-08-28 Riki Toshio , Yutaro Akahoshi , Jun Fujisaki , Hirotaka Oshima , Shintaro Sato , Keisuke Fujii

Estimating ground state energies of many-body Hamiltonians is a central task in many areas of quantum physics. In this work, we give quantum algorithms which, given any $k$-body Hamiltonian $H$, compute an estimate for the ground state…

We present several improvements to the standard Trotter-Suzuki based algorithms used in the simulation of quantum chemistry on a quantum computer. First, we modify how Jordan-Wigner transformations are implemented to reduce their cost from…

Quantum Physics · Physics 2016-12-15 M. B. Hastings , D. Wecker , B. Bauer , M. Troyer

Quantum computers have the potential to revolutionise our understanding of the microscopic behaviour of materials and chemical processes by enabling high-accuracy electronic structure calculations to scale more efficiently than is possible…

Quantum Physics · Physics 2025-04-08 Manolo C. Per , Nathan Rhodes , Maiyuren Srikumar , Joshua W. Dai

Quantum phase estimation (QPE) is a key quantum algorithm, which has been widely studied as a method to perform chemistry and solid-state calculations on future fault-tolerant quantum computers. Recently, several authors have proposed…

Quantum Physics · Physics 2024-02-05 Nick S. Blunt , Laura Caune , Róbert Izsák , Earl T. Campbell , Nicole Holzmann

Quantum computing has emerged as a promising technology for solving problems that are intractable for classical computers. In this study, we introduce quantum computing and implement the Variational Quantum Eigensolver (VQE) algorithm using…

Quantum Physics · Physics 2023-05-12 Maomin Qing , Wei Xie

Applying quantum chemistry algorithms to large-scale systems requires substantial computational resources scaled with the system size and the desired accuracy. To address this, ByteQC, a fully-functional and efficient package for…

Qubits used in quantum computing tend to suffer from errors, either from the qubit interacting with the environment, or from imperfect control when quantum logic gates are applied. Fault-tolerant construction based on quantum error…

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

Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…

Quantum Physics · Physics 2019-06-12 Suguru Endo , Tyson Jones , Sam McArdle , Xiao Yuan , Simon Benjamin

With the rapid development of quantum hardware technologies, benchmarking the performance of quantum computers has become attractive. In this paper, we propose a new aspect of benchmarking quantum computers by evaluating the limitation of…

Quantum Physics · Physics 2022-06-08 Siyuan Niu , Aida Todri-Sanial

Quantum Machine Learning (QML) has gathered significant attention through approaches like Quantum Kernel Machines. While these methods hold considerable promise, their quantum nature presents inherent challenges. One major challenge is the…

We propose a method for constructing $\texttt{PREPARE}$ circuits for quantum phase estimation of a molecular Hamiltonian in quantum chemistry by using variational optimization of quantum circuits solely on classical computers. The…

Quantum Physics · Physics 2025-05-02 Hayata Morisaki , Kosuke Mitarai , Keisuke Fujii , Yuya O. Nakagawa

Developing methods to solve nuclear many-body problems with quantum computers is an imperative pursuit within the nuclear physics community. Here, we introduce a quantum algorithm to accurately and precisely compute the ground state of…

Nuclear Theory · Physics 2024-06-11 Sota Yoshida , Takeshi Sato , Takumi Ogata , Tomoya Naito , Masaaki Kimura