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In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Diagonalizing a Hamiltonian, which is essential for simulating its long-time dynamics, is a key primitive in quantum computing and has been proven to yield a quantum advantage for several specific families of Hamiltonians. Yet, despite its…

Quantum Physics · Physics 2025-06-24 Taehee Ko , Sangkook Choi , Hyowon Park , Xiantao Li

We present a novel set of reversible modular multipliers applicable to quantum computing, derived from three classical techniques: 1) traditional integer division, 2) Montgomery residue arithmetic, and 3) Barrett reduction. Each multiplier…

Quantum Physics · Physics 2018-01-04 Rich Rines , Isaac Chuang

Circuit QED enables the combined use of qubits and oscillator modes. Despite a variety of available gate sets, many hybrid qubit-boson (i.e., oscillator) operations are realizable only through optimal control theory (OCT) which is…

Quantum Physics · Physics 2025-01-08 Christopher Kang , Micheline B. Soley , Eleanor Crane , S. M. Girvin , Nathan Wiebe

This paper explores the use of quantum computing, specifically the use of HHL and VQLS algorithms, to solve optimal power flow problem in electrical grids. We investigate the effectiveness of these quantum algorithms in comparison to…

Quantum Physics · Physics 2024-12-10 Sajad Fathi Hafshejani , Md Mohsin Uddin , David Neufeld , Daya Gaur , Robert Benkoczi

Quantum simulators, machines that can replicate the dynamics of quantum systems, are being built as useful devices and are seen as a stepping stone to universal quantum computers. A key difference between the two is that computers have the…

Quantum Physics · Physics 2018-08-09 Benjamin Dive , Alexander Pitchford , Florian Mintert , Daniel Burgarth

Until high-fidelity quantum computers with a large number of qubits become widely available, classical simulation remains a vital tool for algorithm design, tuning, and validation. We present a simulator for the Quantum Approximate…

Quantum Physics · Physics 2023-11-14 Danylo Lykov , Ruslan Shaydulin , Yue Sun , Yuri Alexeev , Marco Pistoia

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

In this paper, two novel classes of implicit exponential Runge-Kutta (ERK) methods are studied for solving highly oscillatory systems. First of all, we analyze the symplectic conditions of two kinds of exponential integrators, and present a…

Numerical Analysis · Mathematics 2023-12-05 Xianfa Hu , Wansheng Wang , Bin Wang , Yonglei Fang

Validating whether a quantum device confers a computational advantage often requires classical simulation of its outcomes. The worst-case sampling cost of $L_1$-norm based simulation has plateaued at $\le(2+\sqrt{2})\xi_t \delta^{-1}$ in…

Quantum Physics · Physics 2022-05-02 Lucas Kocia , Genele Tulloch

We develop a fourth-order Magnus expansion based quantum algorithm for the simulation of many-body problems involving two-level quantum systems with time-dependent Hamiltonians, $\mathcal{H}(t)$. A major hurdle in the utilization of the…

Quantum Physics · Physics 2023-12-14 Guannan Chen , Mohammadali Foroozandeh , Chris Budd , Pranav Singh

Trotter product formulas constitute a cornerstone quantum Hamiltonian simulation technique. However, the efficient implementation of Hamiltonian evolution of nested commutators remains an under explored area. In this work, we construct…

Quantum Physics · Physics 2025-01-22 F. Casas , A. Escorihuela-Tomàs , P. A. Moreno Casares

Dissipation and irreversibility are central to most physical processes, yet they lead to non-unitary dynamics that are challenging to realise on quantum processors. High-order operator splitting is an attractive approach for simulating…

Quantum Physics · Physics 2026-02-17 Peter Brearley , Philipp Pfeffer

The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…

Chemical Physics · Physics 2017-03-23 Venkat Kapil , Jörg Behler , Michele Ceriotti

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can only be applied to small systems. By contrast, we demonstrate that quantum…

Quantum Physics · Physics 2008-12-17 Ivan Kassal , Stephen P. Jordan , Peter J. Love , Masoud Mohseni , Alán Aspuru-Guzik

Simulation of realistic classical mechanical systems is of great importance to many areas of engineering such as robotics, dynamics of rotating machinery and control theory. In this work, we develop quantum algorithms to estimate quantities…

Quantum Physics · Physics 2024-04-12 Hari Krovi

Quantum algorithms for simulation of Hamiltonian evolution are often based on product formulae. The fractal methods give a systematic way to find arbitrarily high-order product formulae, but result in a large number of exponentials. On the…

Advancing quantum technologies requires precise and robust coherent control of quantum systems. Robust higher-order Hamiltonian engineering is essential for high-precision control and for accessing effective dynamics absent at zeroth order.…

Quantum Physics · Physics 2026-03-13 Jiahui Chen , David Cory

Parity-time ($PT$)-symmetric Hamiltonians exhibit non-unitary dynamical evolution while maintaining real spectra, and offer unique approaches to quantum sensing and entanglement generation. Here we present a method for simulating the…

Quantum Physics · Physics 2026-01-15 Maryam Abbasi , Koray Aydogan , Anthony W. Schlimgen , Kade Head-Marsden

Exponentiation of Hamiltonians refers to a mathematical operation to a Hamiltonian operator, typically in the form e^(-i.t.H), where H is the Hamiltonian and t is a time parameter. This operation is fundamental in quantum mechanics,…

Quantum Physics · Physics 2025-02-11 Gerard Fleury , Philippe Lacomme
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