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Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the…

Quantum Physics · Physics 2026-01-23 Maja Franz , Lukas Schmidbauer , Joshua Ammermann , Ina Schaefer , Wolfgang Mauerer

The state vector-based simulation offers a convenient approach to developing and validating quantum algorithms with noise-free results. However, limited by the absence of cache-aware implementations and unpolished circuit optimizations, the…

Quantum Physics · Physics 2024-06-21 Chuan-Chi Wang , Yu-Cheng Lin , Yan-Jie Wang , Chia-Heng Tu , Shih-Hao Hung

The study of spontaneous supersymmetry breaking (SSB) on the lattice is obstructed by a severe sign problem. Quantum computing provides a promising alternative approach. In particular, properties of supersymmetry relate SSB to the…

Quantum Physics · Physics 2026-03-20 John Kerfoot , David Schaich , Emanuele Mendicelli

As quantum computing approaches its first commercial implementations, quantum simulation emerges as a potentially ground-breaking technology for several domains, including Biology and Chemistry. However, taking advantage of quantum…

Variational quantum eigensolver (VQE) is promising to show quantum advantage on near-term noisy-intermediate-scale quantum (NISQ) computers. One central problem of VQE is the effect of noise, especially the physical noise on realistic…

Quantum Physics · Physics 2021-09-30 Jinfeng Zeng , Zipeng Wu , Chenfeng Cao , Chao Zhang , Shiyao Hou , Pengxiang Xu , Bei Zeng

This paper presents a hybrid quantum-classical approach to prime factorization. The proposed algorithm is based on the Variational Quantum Eigensolver (VQE), which employs a classical optimizer to find the ground state of a given…

Quantum Physics · Physics 2025-03-21 Mona Sobhani , Yahui Chai , Tobias Hartung , Karl Jansen

Quantum computers have an exponential speed-up advantage over classical computers. One of the most prominent utilities of quantum computers is their ability to study complex quantum systems in various fields using quantum computational…

Quantum Physics · Physics 2022-01-03 Ritu Dhaulakhandi , Bikash K. Behera

Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

Quantum Physics · Physics 2011-03-08 James D. Whitfield , Jacob Biamonte , Alán Aspuru-Guzik

The characterization of quantum phase transitions is a fundamental task for the understanding of quantum phases of matter, with a number of potential applications in quantum technologies. In this work, we use digital quantum simulation as a…

Quantum Physics · Physics 2025-09-04 Alan Duriez , Andreia Saguia , Marcelo S. Sarandy

Variational quantum eigensolver (VQE) is demonstrated to be the promising methodology for quantum chemistry based on near-term quantum devices. However, many problems are yet to be investigated for this methodology, such as the influences…

Chemical Physics · Physics 2021-01-18 Xian-Hu Zha , Chao Zhang , Dengdong Fan , Pengxiang Xu , Shiyu Du , Rui-Qin Zhang , Chen Fu

In recent years, there has been a growing interest in the development of quantum emulation. However, existing studies often struggle to achieve broad applicability, high performance, and efficient resource and memory utilization. To address…

Quantum Physics · Physics 2025-11-06 Tran Van Duy , Tuan Hai Vu , Vu Trung Duong Le , Hoai Luan Pham , Yasuhiko Nakashima

The Variational Quantum Eigensolver (VQE) algorithm has been developed to target near term Noisy Intermediate Scale Quantum (NISQ) computers as a method to find the eigenvalues of Hamiltonians. Unlike fully quantum algorithms such as…

Quantum Physics · Physics 2026-02-13 Taylor Harville , Rishu Khurana , Vitor F. Grizzi , Cong Liu

Development of resource-friendly quantum algorithms remains highly desirable for noisy intermediate-scale quantum computing. Based on the variational quantum eigensolver (VQE) with unitary coupled cluster ansatz, we demonstrate that…

Various strategies to implement efficiently QMC simulations for large chemical systems are presented. These include: i.) the introduction of an efficient algorithm to calculate the computationally expensive Slater matrices. This novel…

Performance · Computer Science 2019-05-28 Anthony Scemama , Michel Caffarel , Emmanuel Oseret , William Jalby

Variational quantum eigensolvers are touted as a near-term algorithm capable of impacting many applications. However, the potential has not yet been realized, with few claims of quantum advantage and high resource estimates, especially due…

The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics. It is for this reason that a universal quantum computer has the potential to fundamentally change…

We demonstrate the use of the Variational Quantum Eigensolver (VQE) to simulate solid state crystalline materials. We adapt the Unitary Coupled Cluster ansatz to periodic boundary conditions in real space and momentum space representations…

Neural network quantum state (NNQS) has emerged as a promising candidate for quantum many-body problems, but its practical applications are often hindered by the high cost of sampling and local energy calculation. We develop a…

Quantum Physics · Physics 2023-11-02 Yangjun Wu , Chu Guo , Yi Fan , Pengyu Zhou , Honghui Shang

The molecular energies of chemical systems have been successfully calculated on quantum computers, however, more attention has been paid to the dynamic process of chemical reactions in practical application, especially in catalyst design,…

Quantum Physics · Physics 2023-03-28 Qiankun Gong , Qingmin Man , Ye Li , Menghan Dou , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…