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Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…

Computational Physics · Physics 2025-10-14 Yiran Bai , Feng Xiong , Xueheng Kuang

Perturbation theory is an important technique for reducing computational cost and providing physical insights in simulating quantum systems with classical computers. Here, we provide a quantum algorithm to obtain perturbative energies on…

Quantum Physics · Physics 2023-05-17 Kosuke Mitarai , Kiichiro Toyoizumi , Wataru Mizukami

Compilation optimizes quantum algorithms performances on real-world quantum computers. To date, it is performed via classical optimization strategies. We introduce a class of quantum algorithms to perform compilation via quantum computers,…

Quantum Physics · Physics 2025-09-25 Davide Rattacaso , Daniel Jaschke , Marco Ballarin , Ilaria Siloi , Simone Montangero

The quantum circuit model is the de-facto way of designing quantum algorithms. Yet any level of abstraction away from the underlying hardware incurs overhead. In the era of near-term, noisy, intermediate-scale quantum (NISQ) hardware with…

Quantum Physics · Physics 2021-08-27 Laura Clinton , Johannes Bausch , Toby Cubitt

A recent experiment testing the necessity of complex numbers in the standard formulation of quantum theory is recreated using IBM quantum computers. To motivate the experiment, we present a basic construction for real-valued quantum theory.…

Quantum Physics · Physics 2024-12-24 Jarrett L. Lancaster , Nicholas M. Palladino

Quantum computers offer the potential to simulate nuclear processes that are classically intractable. With the goal of understanding the necessary quantum resources to realize this potential, we employ state-of-the-art…

Quantum harmonic oscillators, or qumodes, provide a promising and versatile framework for quantum computing. Unlike qubits, which are limited to two discrete levels, qumodes have an infinite-dimensional Hilbert space, making them…

Hamiltonian simulations are key subroutines in adiabatic quantum computation, quantum control, and quantum many-body physics, where quantum dynamics often happen in the low-energy sector. In contrast to time-independent Hamiltonian…

Quantum Physics · Physics 2026-01-06 Shuo Zhou , Zhaokai Pan , Weiyuan Gong , Tongyang Li

Imaginary-time evolution plays an important role in algorithms for computing ground-state and thermal equilibrium properties of quantum systems, but can be challenging to simulate on classical computers. Many quantum algorithms for…

Quantum Physics · Physics 2025-07-22 Annie Ray , Esha Swaroop , Ningping Cao , Michael Vasmer , Anirban Chowdhury

Vibrational degrees of freedom in trapped-ion systems have recently been gaining attention as a quantum resource, beyond the role as a mediator for entangling quantum operations on internal degrees of freedom, because of the large available…

Quantum Physics · Physics 2021-07-01 Wentao Chen , Jaren Gan , Jing-Ning Zhang , Dzmitry Matuskevich , Kihwan Kim

Fault-tolerant schemes can use error correction to make a quantum computation arbitrarily ac- curate, provided that errors per physical component are smaller than a certain threshold and in- dependent of the computer size. However in…

Quantum Physics · Physics 2022-02-24 Marco Fellous-Asiani , Jing Hao Chai , Robert S. Whitney , Alexia Auffèves , Hui Khoon Ng

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve…

We numerically investigate quantum circuit elementary-gate level instantiations of the standard Quantum Phase Estimation (QPE) algorithm for the task of computing the ground-state energy of a quantum magnet; the disordered fully-connected…

Quantum Physics · Physics 2026-03-02 Elijah Pelofske , Stephan Eidenbenz

The precise theoretical determination of the geometrical parameters of molecules at the minima of their potential energy surface and of the corresponding vibrational properties are of fundamental importance for the interpretation of…

Strongly Correlated Electrons · Physics 2013-06-19 Andrea Zen , Delyan Zhelyazov , Leonardo Guidoni

We describe methods to construct digital quantum simulation algorithms for quantum spin systems on a regular lattice with local interactions. In addition to tools such as the Trotter-Suzuki expansion and graph coloring, we also discuss the…

Quantum Physics · Physics 2025-03-12 Guido Burkard

The excitation of vibrational modes in molecules affects the outcome of chemical reactions, for example by providing molecules with sufficient energy to overcome activation barriers. In this work, we introduce a quantum algorithm for…

Quantum Physics · Physics 2021-12-01 Soran Jahangiri , Juan Miguel Arrazola , Nicolás Quesada , Alain Delgado

Emergent quantum computing technologies are widely expected to provide novel approaches in the simulation of quantum chemistry. Despite rapid improvements in the scale and fidelity of quantum computers, high resource requirements make the…

Quantum Physics · Physics 2025-06-23 Andrew Tranter , Duncan Gowland , Kentaro Yamamoto , Michelle Sze , David Muñoz Ramo

We propose a quantum inverse iteration algorithm which can be used to estimate the ground state properties of a programmable quantum device. The method relies on the inverse power iteration technique, where the sequential application of the…

Quantum Physics · Physics 2020-01-22 Oleksandr Kyriienko

Conventional approaches to fault-tolerant quantum computing realize logical circuits gate-by-gate, synthesizing each gate independently on one or more code blocks. This incurs excess overhead and doesn't leverage common structures in…

Quantum Physics · Physics 2026-02-02 Zhuangzhuang Chen , Jack Owen Weinberg , Narayanan Rengaswamy

We compare several quantum phase estimation (QPE) protocols intended for early fault-tolerant quantum computers (EFTQCs) in the context of models of their implementations on a surface code architecture. We estimate the logical and physical…

Quantum Physics · Physics 2024-03-04 Jacob S. Nelson , Andrew D. Baczewski
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