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Quantum simulation of the electronic structure problem is one of the most researched applications of quantum computing. The majority of quantum algorithms for this problem encode the wavefunction using $N$ Gaussian orbitals, leading to…

In this work, we investigate the capability of known quantum-computing algorithms for fault-tolerant quantum computing to simulate the laser-driven electron dynamics in small molecules such as lithium hydride. These computations are…

Quantum Physics · Physics 2022-05-24 Fabian Langkabel , Annika Bande

It is difficult to calculate the energy levels and eigenstates of a large physical system on a classical computer because of the exponentially growing size of the Hilbert space. In this work, we experimentally demonstrate a quantum…

Quantum Physics · Physics 2019-03-12 Zhaokai Li , Xiaomei Liu , Hefeng Wang , Sahel Ashhab , Jiangyu Cui , Hongwei Chen , Xinhua Peng , Jiangfeng Du

One of the most promising applications of near-term quantum computing is the simulation of quantum systems, a classically intractable task. Quantum simulation requires computationally expensive matrix exponentiation; Trotter-Suzuki…

Neural and Evolutionary Computing · Computer Science 2019-04-24 Benjamin D. M. Jones , George O. O'Brien , David R. White , Earl T. Campbell , John A. Clark

To overcome the fast oscillatory behavior of correlation functions for extracting scattering phase shift in real-time quantum simulations encountered in Ref.\cite{Guo:2026qkx}, we propose and test two solutions in the present work. One is…

Quantum Physics · Physics 2026-04-02 Peng Guo , Paul LeVan , Frank X. Lee , Yong Zhao

We show how a quantum computer may efficiently simulate a disordered Hamiltonian, by incorporating a pseudo-random number generator directly into the time evolution circuit. This technique is applied to quantum simulation of few-body…

Disordered Systems and Neural Networks · Physics 2020-03-25 Andrei Alexandru , Paulo F. Bedaque , Scott Lawrence

We construct quantum circuits which exactly encode the spectra of correlated electron models up to errors from rotation synthesis. By invoking these circuits as oracles within the recently introduced "qubitization" framework, one can use…

Efficiently characterising quantum systems, verifying operations of quantum devices and validating underpinning physical models, are central challenges for the development of quantum technologies and for our continued understanding of…

Simulation of fermionic systems is one of the most promising applications of quantum computers. It spans problems in quantum chemistry, high-energy physics and condensed matter. Underpinning the core steps of any quantum simulation…

Quantum Physics · Physics 2026-03-24 Mitchell Chiew , Cameron Ibrahim , Ilya Safro , Sergii Strelchuk

We provide an explicit recursive divide and conquer approach for simulating quantum dynamics and derive a discrete first quantized non-relativistic QED Hamiltonian based on the many-particle Pauli Fierz Hamiltonian. We apply this recursive…

Quantum Physics · Physics 2024-03-19 Priyanka Mukhopadhyay , Torin F. Stetina , Nathan Wiebe

The mapping of fermionic states onto qubit states, as well as the mapping of fermionic Hamiltonian into quantum gates enables us to simulate electronic systems with a quantum computer. Benefiting the understanding of many-body systems in…

Quantum Physics · Physics 2018-10-12 Mark Steudtner , Stephanie Wehner

The Fermi-Hubbard model, a fundamental framework for studying strongly correlated phenomena could significantly benefit from quantum simulations when exploring non-trivial settings. However, simulating this problem requires twice as many…

Quantum Physics · Physics 2024-02-05 Arian Vezvaee , Nathan Earnest-Noble , Khadijeh Najafi

Efficient simulation of interacting fermionic systems is a key application of near-term quantum computers, but is hindered by the overhead required to encode fermionic operators on qubit hardware. Here, we consider models with $N$ fermionic…

Quantum Physics · Physics 2026-04-30 Reinis Irmejs , J. Ignacio Cirac

We study the efficiency of algorithms simulating a system evolving with Hamiltonian $H=\sum_{j=1}^m H_j$. We consider high order splitting methods that play a key role in quantum Hamiltonian simulation. We obtain upper bounds on the number…

Quantum Physics · Physics 2010-10-12 Anargyros Papageorgiou , Chi Zhang

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…

Quantum Physics · Physics 2022-10-03 Paul K. Faehrmann , Mark Steudtner , Richard Kueng , Maria Kieferova , Jens Eisert

H\"uckel molecular orbital (HMO) theory provides a semi-empirical treatment of the electronic structure in conjugated {\pi}-electronic systems. A scalable system-agnostic execution of HMO theory on a quantum computer is reported here based…

Quantum Physics · Physics 2024-05-22 Harshdeep Singh , Sonjoy Majumder , Sabyashachi Mishra

The complex-scaling method can be used to calculate molecular resonances within the Born-Oppenheimer approximation, assuming the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will…

Quantum Physics · Physics 2021-06-16 Teng Bian , Sabre Kais

Simulation of quantum systems is notoriously challenging for classical computers, while quantum hardware is naturally well-suited for this task. However, the imperfections of contemporary quantum systems poses a considerable challenge in…

Quantum Physics · Physics 2025-01-10 Yotam Shapira , Jovan Markov , Nitzan Akerman , Ady Stern , Roee Ozeri

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

NISQ era devices suffer from a number of challenges like limited qubit connectivity, short coherence times and sizable gate error rates. Thus, quantum algorithms are desired that require shallow circuit depths and low qubit counts to take…