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In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubitization approach in second quantization and developed for…

Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is…

Quantum Physics · Physics 2024-06-07 Shu Kanno , Hajime Nakamura , Takao Kobayashi , Shigeki Gocho , Miho Hatanaka , Naoki Yamamoto , Qi Gao

A recently proposed variational quantum algorithm has expanded the horizon of variational quantum computing to nonlinear physics and fluid dynamics. In this work, we probe the ability of such approaches to capture the ground state of the…

Quantum Physics · Physics 2025-07-15 Muhammad Umer , Eleftherios Mastorakis , Sofia Evangelou , Dimitris G. Angelakis

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

Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…

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

Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report…

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

It is difficult to calculate the energy levels and eigenstates of a large physical system on a classical computer because of the exponentially growing size of the Hilbert space. In this work, we experimentally demonstrate a quantum…

Quantum Physics · Physics 2019-03-12 Zhaokai Li , Xiaomei Liu , Hefeng Wang , Sahel Ashhab , Jiangyu Cui , Hongwei Chen , Xinhua Peng , Jiangfeng Du

Quantum ground-state problems are computationally hard problems; for general many-body Hamiltonians, there is no classical or quantum algorithm known to be able to solve them efficiently. Nevertheless, if a trial wavefunction approximating…

We adapt the robust phase estimation algorithm to the evaluation of energy differences between two eigenstates using a quantum computer. This approach does not require controlled unitaries between auxiliary and system registers or even a…

Quantum Physics · Physics 2021-06-02 A. E. Russo , K. M. Rudinger , B. C. A. Morrison , A. D. Baczewski

Quantum computers have the potential to help solve a range of physics and chemistry problems, but noise in quantum hardware currently limits our ability to obtain accurate results from the execution of quantum-simulation algorithms. Various…

Quantum Physics · Physics 2022-01-13 Eliott Rosenberg , Paul Ginsparg , Peter L. McMahon

Universal fault-tolerant quantum computers will require error-free execution of long sequences of quantum gate operations, which is expected to involve millions of physical qubits. Before the full power of such machines will be available,…

Advances in quantum simulator technology is increasingly required because research on quantum algorithms is becoming more sophisticated and complex. State vector simulation utilizes CPU and memory resources in computing nodes exponentially…

Quantum Physics · Physics 2024-09-04 Mikio Morita , Yoshinori Tomita , Junpei Koyama , Koichi Kimura

We present a quantum-classical hybrid algorithm for calculating the ground state and its energy of the quantum many-body Hamiltonian by proposing an adaptive construction of a quantum state for the quantum-selected configuration interaction…

Quantum Physics · Physics 2024-12-12 Yuya O. Nakagawa , Masahiko Kamoshita , Wataru Mizukami , Shotaro Sudo , Yu-ya Ohnishi

Accurate ground-state calculations on noisy quantum computers are fundamentally limited by restricted ansatz expressivity and unavoidable hardware errors. We introduce a hybrid-quantum classical framework that simultaneously addresses these…

Quantum circuit partitioning (QCP) is a hybrid quantum-classical approach that aims to simulate large quantum systems on smaller quantum computers. A quantum computation is divided into smaller subsystems and results of measurements on…

Quantum Physics · Physics 2024-09-20 Stian Bilek

We present a large-scale experimental study of quantum-computing-based molecular simulation carried out on IQM's Sirius 24-qubit superconducting processor, utilizing up to 16 operational qubits. The work employs Sample-based Quantum…

Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence,connectivity and gate…

Quantum Physics · Physics 2020-04-17 Scott E. Smart , David A. Mazziotti

Quantum processing units boost entanglement at the level of hardware and enable physical simulations of highly correlated electron states in molecules and intermolecular chemical bonds. The variational quantum eigensolver provides a…