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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…

NWQ-Sim is a cutting-edge quantum system simulation environment designed to run on classical multi-node, multi-CPU/GPU heterogeneous HPC systems. In this work, we provide a brief overview of NWQ-Sim and its implementation in simulating…

Quantum Physics · Physics 2024-01-17 In-Saeng Suh , Ang Li

AlphaFold has achieved groundbreaking advancements in protein structure prediction, exerting profound influence across biology, medicine, and drug discovery. However, its reliance on multiple sequence alignment (MSA) is inherently…

Quantum Physics · Physics 2025-06-03 Rong Chen , Quan-Xin Mei , Wen-Ding Zhao , Lin Yao , Hao-Xiang Yang , Shun-Yao Zhang , Jiao Chen , Hong-Lin Li

There is great interest in using near-term quantum computers to simulate and study foundational problems in quantum mechanics and quantum information science, such as the scrambling measured by an out-of-time-ordered correlator (OTOC). Here…

The efficient numerical simulation of nonequilibrium real-time evolution in isolated quantum matter constitutes a key challenge for current computational methods. This holds in particular in the regime of two spatial dimensions, whose…

Strongly Correlated Electrons · Physics 2020-09-09 Markus Schmitt , Markus Heyl

Understanding the limiting capabilities of classical methods in simulating complex quantum systems is of paramount importance for quantum technologies. Although many advanced approaches have been proposed and recently used to challenge…

Quantum Physics · Physics 2025-02-05 I. A. Luchnikov , A. V. Berezutskii , A. K. Fedorov

Neural quantum states (NQS) have gained prominence in variational quantum Monte Carlo methods in approximating ground-state wavefunctions. Despite their success, they face limitations in optimization, scalability, and expressivity in…

Quantum Physics · Physics 2025-01-22 Zongkang Zhang , Ying Li , Xiaosi Xu

Controllable arrays of ions and ultra-cold atoms can simulate complex many-body phenomena and may provide insights into unsolved problems in modern science. To this end, experimentally feasible protocols for quantifying the buildup of…

The main objective of quantum simulation is an in-depth understanding of many-body physics. It is important for fundamental issues (quantum phase transitions, transport, . . . ) and for the development of innovative materials. Analytic…

The fundamental question of how to best simulate quantum systems using conventional computational resources lies at the forefront of condensed matter and quantum computation. It impacts both our understanding of quantum materials and our…

Strongly Correlated Electrons · Physics 2021-09-29 Juan Carrasquilla , Di Luo , Felipe Pérez , Ashley Milsted , Bryan K. Clark , Maksims Volkovs , Leandro Aolita

One of the promises of quantum computing is to simulate physical systems efficiently. However, the simulation of open quantum systems - where interactions with the environment play a crucial role - remains challenging for quantum computing,…

We investigate the quantum algorithm of Babbush et al. (arXiv:2303.13012v3) for simulating coupled harmonic oscillators, which promises exponential speedups over classical methods. Focusing on linearly connected oscillator chains, we bridge…

Efficient simulation of large-scale quantum algorithms is pivotal yet challenging due to the exponential growth of the state space inherent in both Sch\"odinger-based and Feynman-based methods. While Feynman-based simulators can be highly…

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

We present a quantum algorithm for simulating the dynamics of a first-quantized Hamiltonian in real space based on the truncated Taylor series algorithm. We avoid the possibility of singularities by applying various cutoffs to the system…

Quantum Physics · Physics 2017-07-07 Ian D. Kivlichan , Nathan Wiebe , Ryan Babbush , Alan Aspuru-Guzik

A strong analog classical simulation of general quantum evolution is proposed, which serves as a novel scheme in quantum computation and simulation. The scheme employs the approach of geometric quantum mechanics and quantum informational…

Quantum Physics · Physics 2017-03-16 Dong-Sheng Wang

Digital quantum simulation on quantum systems require algorithms that can be implemented using finite quantum resources. Recent studies have demonstrated digital quantum simulation of open quantum systems on Noisy Intermediate-Scale Quantum…

Quantum Physics · Physics 2020-12-15 Pragati Gupta , C. M. Chandrashekar

Advances in quantum simulator technology is increasingly required because research on quantum algorithms is becoming more sophisticated and complex. State vector simulation utilizes CPU and memory resources in computing nodes exponentially…

Quantum Physics · Physics 2024-09-04 Mikio Morita , Yoshinori Tomita , Junpei Koyama , Koichi Kimura

Capturing the dynamics of quantum many-body systems under time-dependent driving protocols is a central challenge for numerical simulations. Existing methods such as tensor networks and time-dependent neural quantum states, however, must be…

Quantum Physics · Physics 2026-03-27 Zihao Qi , Christopher Earls , Yang Peng

Variational quantum algorithms (VQAs) are leading strategies to reach practical utilities of near-term quantum devices. However, the no-cloning theorem in quantum mechanics precludes standard backpropagation, leading to prohibitive quantum…

Quantum Physics · Physics 2025-09-26 Yiming Huang , Yajie Hao , Jing Zhou , Xiao Yuan , Xiaoting Wang , Yuxuan Du