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We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…

Chemical Physics · Physics 2025-06-24 Tomoya Shiota , Klaas Gunst , Toshio Mori , Toru Shiozaki , Wataru Mizukami

Quantum simulation is a promising application for quantum computing. Quantum simulation algorithms may require the ability to control the time evolution unitary. Naive techniques to control a unitary can substantially increase the required…

Quantum Physics · Physics 2025-11-19 William A. Simon , Peter J. Love

Quantum algorithms for quantum dynamics simulations are traditionally based on implementing a Trotter-approximation of the time-evolution operator. This approach typically relies on deep circuits and is therefore hampered by the substantial…

Quantum Physics · Physics 2022-01-06 Alexander Miessen , Pauline J. Ollitrault , Ivano Tavernelli

Vortex interactions are commonly observed in atmospheric turbulence, plasma dynamics, and collective behaviors in biological systems. However, accurately simulating these complex interactions is highly challenging due to the need to capture…

Quantum computing holds promise for revolutionizing computational chemistry simulations, particularly in drug discovery. However, current quantum hardware is limited by noise and scale, necessitating bridging technologies. This study…

Quantum Physics · Physics 2025-04-16 Marek Kowalik , Ellen Michael , Peter Pogány , Phalgun Lolur

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…

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

We present a framework for effectively simulating the execution of quantum circuits originally designed to demonstrate quantum supremacy using accessible high-performance computing (HPC) infrastructure. Building on prior CPU-only…

Quantum Physics · Physics 2025-12-09 Bob Wold , Venkateswaran Kasirajan

The simulation of time evolution of large quantum systems is a classically challenging and in general intractable task, making it a promising application for quantum computation. A Trotter-Suzuki approximation yields an implementation…

Simulating real-time dynamics under a Hamiltonian is a central goal of quantum information science. While numerous Hamiltonian-simulation quantum algorithms have been proposed, the effects of physical noise have rarely been incorporated…

Quantum Physics · Physics 2026-03-13 Keisuke Murota , Synge Todo , Suguru Endo

Quantum computers are expected to help us to achieve accurate simulation of the dynamics of many-body quantum systems. However, the limitations of current NISQ devices prevents us from realising this goal today. Recently an algorithm for…

Quantum Physics · Physics 2021-08-17 Jonathan Wei Zhong Lau , Kishor Bharti , Tobias Haug , Leong Chuan Kwek

The implementation and practicality of quantum algorithms highly hinge on the quality of operations within a quantum processor. Therefore, including realistic error models in quantum computing simulation platforms is crucial for testing…

Quantum Physics · Physics 2021-04-12 Ahmed Abid Moueddene , Nader Khammassi , Koen Bertels , Carmen G. Almudever

Quantum performance simulators can provide practical metrics for the effectiveness of executing theoretical quantum information processing protocols on physical hardware. In this work we present a scheme to simulate the performance of fault…

Quantum Physics · Physics 2012-12-05 Andre Van Rynbach , Ahsan Muhammad , Abhijit C. Mehta , Jeffrey Hussmann , Jungsang Kim

Since simulating quantum computers requires exponentially more classical resources, efficient algorithms are extremely helpful. We analyze algorithms that create single qubit and specific controlled qubit matrix representations of gates.…

Quantum Physics · Physics 2007-05-23 Eric Hsu

Distributed quantum computing (DQC) provides a way to scale quantum computers using multiple quantum processing units (QPU) connected through quantum communication links. In this paper, we have built a distributed quantum computing…

Quantum Physics · Physics 2025-03-26 Sreraman Muralidharan

We investigate the performance and accuracy of digital quantum algorithms for the study of static and dynamic properties of the fermionic Hubbard model at half-filling with next-nearest neighbour hopping terms. We provide quantum circuits…

Although a universal quantum computer is still far from reach, the tremendous advances in controllable quantum devices, in particular with solid-state systems, make it possible to physically implement "quantum simulators". Quantum…

Quantum Physics · Physics 2016-06-08 Zhixin Wang , Xiu Gu , Lian-Ao Wu , Yu-xi Liu

The real- and imaginary-time evolution of quantum states are powerful tools in physics, chemistry, and beyond, to investigate quantum dynamics, prepare ground states or calculate thermodynamic observables. On near-term devices, variational…

Quantum Physics · Physics 2024-02-27 Julien Gacon , Jannes Nys , Riccardo Rossi , Stefan Woerner , Giuseppe Carleo

Implementing time-evolution operators in shallow quantum circuits is important for quantum simulations. The standard method of Trotterization requires a large number of gates to achieve practical accuracy. Variational Quantum Simulation…

Quantum Physics · Physics 2026-03-09 Satoru Shoji , Kosuke Ito , Yukihiro Shimizu , Keisuke Fujii

A central challenge in quantum computing is to identify more computational problems for which utilization of quantum resources can offer significant speedup. Here, we propose a hybrid quantum-classical scheme to tackle the quantum optimal…

Quantum Physics · Physics 2017-04-19 Jun Li , Xiaodong Yang , Xinhua Peng , Chang-Pu Sun
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