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A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered…

Materials Science · Physics 2017-03-08 Honghui Shang , Christian Carbogno , Patrick Rinke , Matthias Scheffler

Non-autonomous dynamical systems appear in a very wide range of interesting applications, both in classical and quantum dynamics, where in the latter case it corresponds to having a time-dependent Hamiltonian. However, the quantum…

Quantum Physics · Physics 2025-04-22 Yu Cao , Shi Jin , Nana Liu

We present a Lie algebraic approach to a Hamiltonian class covering driven, parametric quantum harmonic oscillators where the parameter set -- mass, frequency, driving strength, and parametric pumping -- is time-dependent. Our…

We present different methods to increase the performance of Hybrid Monte Carlo simulations of the Hubbard model in two-dimensions. Our simulations concentrate on a hexagonal lattice, though can be easily generalized to other lattices. It is…

Strongly Correlated Electrons · Physics 2019-01-16 Stefan Krieg , Thomas Luu , Johann Ostmeyer , Philippos Papaphilippou , Carsten Urbach

We present a quantum simulation framework universally applicable to a wide class of quantum systems, including quantum field theories such as quantum chromodynamics (QCD). Specifically, we generalize an efficient quantum simulation protocol…

Quantum Physics · Physics 2025-06-30 Jad C. Halimeh , Masanori Hanada , Shunji Matsuura

We present a rigorous and efficient approach to the calculation of classical lattice-dynamical quantities from simulations that do not require an explicit solution of the time evolution. We focus on the temperature-dependent vibrational…

Materials Science · Physics 2013-03-14 Mathias P. Ljungberg , Jorge Íñiguez

A framework for simulating the real-time dynamics of composite particles in a simple model of dense matter that is amenable to quantum computers is developed. As a demonstration, we perform classical simulations of heavy-hadrons propagating…

Quantum Physics · Physics 2025-01-22 Roland C. Farrell , Marc Illa , Martin J. Savage

We propose fast and practical quantum-inspired classical algorithms for solving linear systems. Specifically, given sampling and query access to a matrix $A\in\mathbb{R}^{m\times n}$ and a vector $b\in\mathbb{R}^m$, we propose classical…

Data Structures and Algorithms · Computer Science 2023-12-01 Qian Zuo , Tongyang Li

The simulation of large-scale classical systems in exponentially small space on quantum computers has gained attention. The prior work demonstrated that a quantum algorithm offers an exponential speedup over any classical algorithm in…

Quantum Physics · Physics 2026-03-02 Kazuki Sakamoto , Keisuke Fujii

Hamiltonian simulation is a central task in quantum computing, with wide-ranging applications in quantum chemistry, condensed matter physics, and combinatorial optimization. A fundamental challenge lies in approximating the unitary…

Quantum Physics · Physics 2025-05-15 Molena Nguyen , Naihuan Jing

Quantum simulation is known to be capable of simulating certain dynamical systems in continuous time -- Schrodinger's equations being the most direct and well-known -- more efficiently than classical simulation. Any linear dynamical system…

Quantum Physics · Physics 2025-04-22 Shi Jin , Nana Liu

We analyze some crucial questions regarding the practical feasibility of quantum simulation for lattice gauge models. Our analysis focuses on two models suitable for the quantum simulation of the Schwinger Hamiltonian, or QED in 1+1…

Quantum Physics · Physics 2014-12-11 Stefan Kühn , J. Ignacio Cirac , Mari-Carmen Bañuls

General molecular dynamic approach, making possible direct calculation of eigen values and eigen functions for a quantum-mechanical system of an arbitrary symmetry is proposed. The method is based on analogy between discrete representation…

Disordered Systems and Neural Networks · Physics 2007-05-23 V. N. Pyrkov , V. M. Burlakov

In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical…

Quantum Physics · Physics 2023-10-02 Xiantao Li , Chunhao Wang

To date, all proposed quantum algorithms for simulating quantum field theory (QFT) simulate (continuous-time) Hamiltonian lattice QFT as a stepping stone. Two overlooked issues are how large we can take the timestep in these simulations…

Quantum Physics · Physics 2020-07-27 Terry Farrelly , Julien Streich

Simulating nonlinear classical dynamics on a quantum computer is an inherently challenging task due to the linear operator formulation of quantum mechanics. In this work, we provide a systematic approach to alleviate this difficulty by…

Fluid flow simulations marshal our most powerful computational resources. In many cases, even this is not enough. Quantum computers provide an opportunity to speed up traditional algorithms for flow simulations. We show that lattice-based…

A global solution of the Schr\"odinger equation for explicitly time-dependent Hamiltonians is derived by integrating the non-linear differential equation associated with the time-dependent wave operator. A fast iterative solution method is…

Quantum Physics · Physics 2015-05-18 Arnaud Leclerc , Georges Jolicard

We present a time-dependent extension of logarithmic perturbation theory for nonrelativistic quantum dynamics governed by the Schr\"odinger equation, in which the logarithm of the wave function is expanded in powers of a coupling constant.…

Quantum Physics · Physics 2026-04-17 Juan Carlos del Valle , Paul Bergold , Karolina Kropielnicka

Shaking a lattice system, by modulating the location of its sites periodically in time, is a powerful method to create effective magnetic fields in engineered quantum systems, such as cold gases trapped in optical lattices. However, such…

Quantum Gases · Physics 2016-09-08 C. E. Creffield , G. Pieplow , F. Sols , N. Goldman