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Quantum computers hold promise to circumvent the limitations of conventional computing for difficult molecular problems. However, the accumulation of quantum logic errors on real devices represents a major challenge, particularly in the…

Chemical Physics · Physics 2021-11-17 Michael A. Jones , Harish J. Vallury , Charles D. Hill , Lloyd C. L. Hollenberg

Finding the ground state of a Hamiltonian system is of great significance in many-body quantum physics and quantum chemistry. We propose an improved iterative quantum algorithm to prepare the ground state of a Hamiltonian. The crucial point…

Quantum Physics · Physics 2022-10-25 Jin-Min Liang , Qiao-Qiao Lv , Shu-Qian Shen , Ming Li , Zhi-Xi Wang , Shao-Ming Fei

Quantum phase estimation is an important routine in many quantum algorithms, particularly for estimating the ground state energy in quantum chemistry simulations. This estimation involves applying powers of a unitary to the ground state,…

Quantum Physics · Physics 2026-01-26 Kaur Kristjuhan , Dominic W. Berry

We present a quantum computational framework using Hamiltonian Truncation (HT) for simulating real-time scattering processes in $(1+1)$-dimensional scalar $\phi^4$ theory. Unlike traditional lattice discretisation methods, HT approximates…

Quantum Physics · Physics 2025-05-08 James Ingoldby , Michael Spannowsky , Timur Sypchenko , Simon Williams , Matthew Wingate

Quantum computing can provide speedups in solving many problems as the evolution of a quantum system is described by a unitary operator in an exponentially large Hilbert space. Such unitary operators change the phase of their eigenstates…

Quantum Physics · Physics 2024-01-23 Youle Wang , Lei Zhang , Zhan Yu , Xin Wang

Simulating the time-evolution of quantum mechanical systems is BQP-hard and expected to be one of the foremost applications of quantum computers. We consider classical algorithms for the approximation of Hamiltonian dynamics using…

Hamiltonian simulation is a promising application for quantum computers to achieve a quantum advantage. We present classical algorithms based on tensor network methods to optimize quantum circuits for this task. We show that, compared to…

Quantum Physics · Physics 2023-06-05 Conor Mc Keever , Michael Lubasch

Phase estimation protocols provide a fundamental benchmark for the field of quantum metrology. The latter represents one of the most relevant applications of quantum theory, potentially enabling the capability of measuring unknown physical…

Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…

The study of real time dynamics of nuclear systems is of great importance to provide theoretical predictions of cross sections relevant for both terrestrial experiments as well as applications in astrophysics. First principles simulations…

Quantum Physics · Physics 2025-11-10 Luca Spagnoli , Chiara Lissoni , Alessandro Roggero

Quantum simulation has wide applications in quantum chemistry and physics. Recently, scientists have begun exploring the use of randomized methods for accelerating quantum simulation. Among them, a simple and powerful technique, called…

Quantum Physics · Physics 2026-03-26 Chi-Fang Chen , Hsin-Yuan Huang , Richard Kueng , Joel A. Tropp

A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…

Quantum Physics · Physics 2025-05-14 Qing-Song Li , Jiaxuan Zhang , Huan-Yu Liu , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

Quantum Hamiltonian identification is important for characterizing the dynamics of quantum systems, calibrating quantum devices and achieving precise quantum control. In this paper, an effective two-step optimization (TSO) quantum…

Quantum Physics · Physics 2018-06-05 Yuanlong Wang , Daoyi Dong , Bo Qi , Jun Zhang , Ian R. Petersen , Hidehiro Yonezawa

In the current noisy intermediate scale quantum era of quantum computation, available hardware is severely limited by both qubit count and noise levels, precluding the application of many current hybrid quantum-classical algorithms to…

Quantum Physics · Physics 2024-03-05 Maria-Andreea Filip

The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…

Quantum Physics · Physics 2007-05-23 Alán Aspuru-Guzik , Anthony D. Dutoi , Peter J. Love , Martin Head-Gordon

This work provides a rigorous and self-contained introduction to numerical methods for Hamiltonian simulation in quantum computing, with a focus on high-order product formulas for efficiently approximating the time evolution of quantum…

Quantum Physics · Physics 2025-07-16 Javier Lopez-Cerezo

The well-known algorithm for quantum phase estimation requires that the considered unitary is available as a conditional transformation depending on the quantum state of an ancilla register. We present an algorithm converting an unknown…

Quantum Physics · Physics 2007-05-23 Dominik Janzing

We describe a quantum algorithm for preparing states that encode solutions of non-homogeneous linear partial differential equations. The algorithm is a continuous-variable version of matrix inversion: it efficiently inverts differential…

Quantum Physics · Physics 2019-09-11 Juan Miguel Arrazola , Timjan Kalajdzievski , Christian Weedbrook , Seth Lloyd

Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…

Statistical Mechanics · Physics 2022-06-07 Erki Metsanurk

Various kinetic Monte Carlo algorithms become inefficient when some of the population sizes in a system are large, which gives rise to a large number of reaction events per unit time. Here, we present a new acceleration algorithm based on…

Quantitative Methods · Quantitative Biology 2019-07-24 Yen Ting Lin , Song Feng , William S. Hlavacek