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Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

A complex but important challenge in understanding quantum mechanical phenomena is the simulation of quantum many-body dynamics. Although quantum computers offer significant potential to accelerate these simulations, their practical…

Quantum Physics · Physics 2025-09-26 Gian Gentinetta , Friederike Metz , Giuseppe Carleo

Quantum simulators have made a remarkable progress towards exploring the dynamics of many-body systems, many of which offer a formidable challenge to both theoretical and numerical methods. While state-of-the-art quantum simulators are in…

The phase estimation algorithm is a powerful quantum algorithm with applications in cryptography, number theory, and simulation of quantum systems. We use this algorithm to simulate the time evolution of a system of two spin-1/2 particles…

Quantum Physics · Physics 2021-05-12 Scott Johnstun , Jean-François Van Huele

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

We construct a simple translationally invariant, nearest-neighbor Hamiltonian on a chain of 10-dimensional qudits that makes it possible to realize universal quantum computing without any external control during the computational process.…

Quantum Physics · Physics 2009-11-13 Daniel Nagaj , Pawel Wocjan

Many claims of computational advantages have been made for quantum computing over classical, but they have not been demonstrated for practical problems. Here, we present algorithms for solving time-dependent PDEs, with particular reference…

Quantum Physics · Physics 2025-06-17 Sachin S. Bharadwaj , Katepalli R. Sreenivasan

Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…

We present an initialisation method for variational quantum algorithms applicable to intermediate scale quantum computers. The method uses simulated annealing of the efficiently simulable Clifford parameter points as a pre-optimisation to…

Quantum Physics · Physics 2022-07-05 M. H. Cheng , K. E. Khosla , C. N. Self , M. Lin , B. X. Li , A. C. Medina , M. S. Kim

Digital quantum computers provide a computational framework for solving the Schr\"{o}dinger equation for a variety of many-particle systems. Quantum computing algorithms for the quantum simulation of these systems have recently witnessed…

Quantum Physics · Physics 2022-03-21 Mario Motta , Julia Rice

Simulating molecular systems on quantum computers requires efficient mappings from Fermionic operators to qubit operators. Traditional mappings such as Jordan-Wigner or Bravyi-Kitaev often produce high-weight Pauli terms, increasing circuit…

Quantum Physics · Physics 2025-11-13 James Brown , Tarini S Hardikar , Kenny Heitritter , Kanav Setia

Quantum Hamiltonian simulation is one of the most promising applications of quantum computing and forms the basis for many quantum algorithms. Benchmarking them is an important gauge of progress in quantum computing technology. We present a…

Computational methods are the most effective tools we have besides scientific experiments to explore the properties of complex biological systems. Progress is slowing because digital silicon computers have reached their limits in terms of…

Quantum Physics · Physics 2020-04-03 Viv Kendon

We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of…

Materials Science · Physics 2026-02-17 Artem Chuprov , Egor E. Nuzhin , Alexey A. Tsukanov , Nikolay V. Brilliantov

We provide a new paradigm for quantum simulation that is based on path integration that allows quantum speedups to be observed for problems that are more naturally expressed using the path integral formalism rather than the conventional…

Quantum Physics · Physics 2024-10-15 Serene Shum , Nathan Wiebe

While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…

Quantum computation is a promising emerging technology which, compared to conventional computation, allows for substantial speed-ups e.g. for integer factorization or database search. However, since physical realizations of quantum…

Quantum Physics · Physics 2018-06-07 Alwin Zulehner , Robert Wille

Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…

Nonequilibrium time evolution of large quantum systems is a strong candidate for quantum advantage. Variational quantum algorithms have been put forward for this task, but their quantum optimization routines suffer from trainability and…

Quantum Physics · Physics 2024-07-12 Refik Mansuroglu , Felix Fischer , Michael J. Hartmann