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Quantum computers have been widely speculated to offer significant advantages in obtaining the ground state of difficult Hamiltonian in chemistry and physics. In this work, we first propose a Lyapunov control-inspired strategy to accelerate…

Quantum Physics · Physics 2022-12-21 Yu-Cheng Chen , Yu-Qin Chen , Alice Hu , Chang-Yu Hsieh , Shengyu Zhang

We review two algorithmic advances that bring us closer to reliable quantum simulations of model systems in high energy physics and beyond on noisy intermediate-scale quantum (NISQ) devices. The first method is the dimensional expressivity…

The estimation of low energies of many-body systems is a cornerstone of computational quantum sciences. Variational quantum algorithms can be used to prepare ground states on pre-fault-tolerant quantum processors, but their lack of…

We introduce a multireference selected quantum Krylov (MRSQK) algorithm suitable for quantum simulation of many-body problems. MRSQK is a low-cost alternative to the quantum phase estimation algorithm that generates a target state as a…

Chemical Physics · Physics 2019-11-14 Nicholas H. Stair , Renke Huang , Francesco A. Evangelista

One of the key applications for the emerging quantum simulators is to emulate the ground state of many-body systems, as it is of great interest in various fields from condensed matter physics to material science. Traditionally, in an analog…

Quantum Physics · Physics 2020-09-18 Chufan Lyu , Victor Montenegro , Abolfazl Bayat

Digital quantum simulation uses the capabilities of quantum computers to determine the dynamics of quantum systems, which are beyond the computability of modern classical computers. A notoriously challenging task in this field is the…

Quantum Physics · Physics 2021-04-19 Benedikt Fauseweh , Jian-Xin Zhu

We conducted quantum simulations of strongly correlated systems using the quantum flow (QFlow) approach, which enables sampling large sub-spaces of the Hilbert space through coupled eigenvalue problems in reduced dimensionality active…

Quantum Physics · Physics 2023-08-09 Karol Kowalski , Nicholas P. Bauman

Quantum computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. However, due to the noise and the limited scale of current quantum…

Quantum Physics · Physics 2024-03-05 Julien Gacon

The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…

For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian. This method provides an efficient way to extract the…

Materials Science · Physics 2009-11-10 Ryu Takayama , Takeo Hoshi , Takeo Fujiwara

Approximating the ground state of many-body systems is a key computational bottleneck underlying important applications in physics and chemistry. The most widely known quantum algorithm for ground state approximation, quantum phase…

Quantum computational fluid dynamics (QCFD) offers a promising alternative to classical computational fluid dynamics (CFD) by leveraging quantum algorithms for higher efficiency. This paper introduces a comprehensive QCFD method, including…

Quantum subspace methods (QSMs) are a class of quantum computing algorithms where the time-independent Schrodinger equation for a quantum system is projected onto a subspace of the underlying Hilbert space. This projection transforms the…

Quantum computers promise to solve several categories of problems faster than classical computers ever could. Current research mostly focuses on qubits, i.e., systems where the unit of information can assume only two levels. However, the…

Quantum Physics · Physics 2023-08-25 Kevin Mato , Stefan Hillmich , Robert Wille

Quantum simulation is a potentially powerful application of quantum computing, holding the promise to be able to emulate interesting quantum systems beyond the reach of classical computing methods. Despite such promising applications, and…

Quantum Physics · Physics 2022-10-07 Kaelyn J. Ferris , A. J. Rasmusson , Nicholas T. Bronn , Olivia Lanes

Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…

Quantum Physics · Physics 2021-10-13 Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi

In this study, we utilized the quantum flow (QFlow) method to perform quantum simulations of correlated systems. The QFlow approach allows for sampling large sub-spaces of the Hilbert space by solving coupled variational problems in reduced…

Quantum Physics · Physics 2024-10-17 Karol Kowalski , Nicholas P. Bauman

Computing electronic structures of quantum systems is a key task underpinning many applications in photonics, solid-state physics, and quantum technologies. This task is typically performed through iterative algorithms to find the energy…

Quantum Physics · Physics 2026-02-03 Shaobo Zhang , Akib Karim , Harry M. Quiney , Muhammad Usman

Building on recent advances in quantum algorithms which measure and reuse qubits and in efficient classical simulation leveraging projective measurements, we extend these frameworks to real-time dynamics of quantum many-body systems…

Quantum Physics · Physics 2025-12-08 Bo Xiao , Benedikt Kloss , E. Miles Stoudenmire