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The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…

Quantum Physics · Physics 2026-05-14 Dominik Hahn , Ryan Sweke , Abhinav Deshpande , Oles Shtanko

The Fermi-Hubbard model is a fundamental model in condensed matter physics that describes strongly correlated electrons. On the other hand, quantum computers are emerging as powerful tools for exploring the complex dynamics of these quantum…

Quantum Physics · Physics 2026-05-27 Talal Ahmed Chowdhury , Vladimir Korepin , Vincent R. Pascuzzi , Kwangmin Yu

Atomistic simulations based on the first-principles of quantum mechanics are reaching unprecedented length scales. This progress is due to the growth in computational power allied with the development of new methodologies that allow the…

Materials Science · Physics 2021-05-19 Mariana Rossi

As quantum computers of non-trivial size become available in the near future, it is imperative to develop tools to emulate small quantum computers. This allows for validation and debugging of algorithms as well as exploring…

Quantum Physics · Physics 2018-01-24 Thomas Häner , Damian S. Steiger , Mikhail Smelyanskiy , Matthias Troyer

Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…

Quantum Physics · Physics 2014-03-14 I. M. Georgescu , S. Ashhab , Franco Nori

Geometric quantum computation offers a practical strategy toward robust quantum computation due to its inherently error tolerance. However, the rigorous geometric conditions lead to complex and/or error-disturbed quantum controls,…

Quantum Physics · Physics 2022-07-28 Tao Chen , Zheng-Yuan Xue , Z. D. Wang

Simulating the dynamics of quantum systems is an important application of quantum computers and has seen a variety of implementations on current hardware. We show that by introducing quantum gates implementing unitary transformations…

Quantum Physics · Physics 2021-02-16 Minh C. Tran , Yuan Su , Daniel Carney , Jacob M. Taylor

Time evolution of quantum systems is of interest in physics, in chemistry, and, more recently, in computer science. Quantum computers are suggested as one route to propagating quantum systems far more efficiently than ordinary numerical…

Quantum Physics · Physics 2015-02-13 James Daniel Whitfield

We present a new empirical pseudopotential (EPM) calculation approach to simulate the million atom nanostructured semiconductor devices under potential bias using the periodic boundary conditions. To treat the non-equilibrium condition,…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Xiang-Wei Jiang , Shu-Shen Li , Jian-Bai Xia , Lin-Wang Wang

We present pseudo-potential coefficients for the first two rows of the periodic table. The pseudo potential is of a novel analytic form, that gives optimal efficiency in numerical calculations using plane waves as basis set. At most 7…

mtrl-th · Physics 2009-10-28 S. Goedecker , M. Teter , J. Hutter

We present a general framework for promoting first-order pulse sequences in quantum simulation to higher-order sequences that maintain robustness in the presence of finite pulse-width effects. Our approach maps a given first-order pulse…

Quantum Physics · Physics 2026-03-17 Leeseok Kim , Milad Marvian

Quantum computation with light, compared with other platforms, offers the unique benefit of natural high-speed operations at room temperature and large clock rate, but a big obstacle of photonics is the lack of strong nonlinearities which…

Quantum Physics · Physics 2024-12-24 Kosuke Fukui , Peter van Loock

The simulation of molecules is a widely anticipated application of quantum computers. However, recent studies \cite{WBCH13a,HWBT14a} have cast a shadow on this hope by revealing that the complexity in gate count of such simulations…

Quantum Physics · Physics 2015-10-05 David Poulin , M. B. Hastings , Dave Wecker , Nathan Wiebe , Andrew C. Doherty , Matthias Troyer

Characterizing and mitigating errors in current noisy intermediate-scale devices is important to improve performance of next generations of quantum hardware. In order to investigate the importance of the different noise mechanisms affecting…

Quantum Physics · Physics 2023-02-14 Gabriele Cenedese , Giuliano Benenti , Maria Bondani

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…

Quantum computing holds potential for accelerating the simulation of fluid dynamics. However, hardware noise in the noisy intermediate-scale quantum era significantly distorts simulation accuracy. Although error magnitudes are frequently…

Quantum Physics · Physics 2025-12-30 Jiahua Yang , Zhen Lu , Yue Yang

Lattice field theory, along with its algorithmic and hardware ecosystems, has been at the forefront of computational particle and nuclear physics. It continues to deliver impressive results on the hadronic spectrum, structure, decays, and…

High Energy Physics - Lattice · Physics 2026-05-21 Zohreh Davoudi

Solving electronic structure problems represents a promising field of application for quantum computers. Currently, much effort has been spent in devising and optimizing quantum algorithms for quantum chemistry problems featuring up to…

This review gives a survey of numerical algorithms and software to simulate quantum computers.It covers the basic concepts of quantum computation and quantum algorithms and includes a few examples that illustrate the use of simulation…

Quantum Physics · Physics 2007-05-23 H. De Raedt , K. Michielsen

Quantum computers can efficiently simulate highly entangled quantum systems, offering a solution to challenges facing classical simulation of Quantum Field Theories (QFTs). This paper presents an alternative to traditional methods for…

Quantum Physics · Physics 2025-09-03 James Ingoldby , Michael Spannowsky , Timur Sypchenko , Simon Williams