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Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications,…

Quantum Physics · Physics 2025-02-04 Kim A. Nicoli , Luca J. Wagner , Lena Funcke

Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…

Quantum Physics · Physics 2026-04-09 Thibaud Louvet , Thomas Ayral , Xavier Waintal

We study the performance of our previously proposed Projective Quantum Eigensolver (PQE) on IBM's quantum hardware in conjunction with error mitigation techniques. For a single qubit model of H$_2$, we find that we are able to obtain…

Quantum Physics · Physics 2023-10-10 Jonathon P. Misiewicz , Francesco A. Evangelista

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

A programmable quantum device that has a large number of qubits without fault-tolerance has emerged recently. Variational Quantum Eigensolver (VQE) is one of the most promising ways to utilize the computational power of such devices to…

We propose a divide-and-conquer method for the quantum-classical hybrid algorithm to solve larger problems with small-scale quantum computers. Specifically, we concatenate a variational quantum eigensolver (VQE) with a reduction in the…

Quantum Physics · Physics 2022-01-26 Keisuke Fujii , Kaoru Mizuta , Hiroshi Ueda , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa

Quantum computers are getting larger and larger, but device fidelities may not be able to keep up with the increase in qubit numbers. One way to make use of a large device that has a limited gate depth is to run many small circuits…

Quantum Physics · Physics 2023-05-10 Lana Mineh , Ashley Montanaro

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

Quantum computers are the next evolution of computing hardware. Quantum devices are being exposed through the same familiar cloud platforms used for classical computers, and enabling seamless execution of hybrid applications that combine…

Variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for noisy intermediate-scale quantum (NISQ) computers. It is promising for quantum chemical calculations (QCC) because it can calculate the ground-state…

We introduce the Cyclic Variational Quantum Eigensolver (CVQE), a hardware-efficient framework for accurate ground-state quantum simulation on noisy intermediate-scale quantum (NISQ) devices. CVQE departs from conventional VQE by…

Quantum Physics · Physics 2025-09-17 Hao Zhang , Ayush Asthana

The development of Fault-Tolerant Quantum Computer (FTQC) gradually raises a possibility to implement the Quantum Phase Estimation (QPE) algorithm. However, QPE works only for normalized systems. This requires the minimum and maximum of…

Quantum Physics · Physics 2021-11-19 Hikaru Wakaura , Andriyan B. Suksmono

Variational-Quantum-Eigensolver(VQE) method on a quantum computer is a well-known hybrid algorithm to solve the eigenstates and eigenvalues that uses both quantum and classical computers. This method has the potential to solve quantum…

Quantum Physics · Physics 2021-10-15 Hikaru Wakaura , Takao Tomono , Shoya Yasuda

The computational cost of concurrent multiscale finite element methods is dominated by the repeated solution of microscopic representative volume element (RVE) problems at macroscopic quadrature points. In this work, we introduce a…

Numerical Analysis · Mathematics 2026-04-08 Yiren Wang , Michael Ortiz , Fehmi Cirak

Quantum computers have the potential to deliver speed-ups for solving certain important problems that are intractable for classical counterparts, making them a promising avenue for advancing modern computation. However, many quantum…

Quantum Physics · Physics 2025-12-23 Kang-Min Hu , Min Namkung , Hyang-Tag Lim

The analysis of a chemical reaction along the ground state potential energy surface in conjunction with an unknown spin state is challenging because electronic states must be separately computed several times using different spin…

Chemical Physics · Physics 2023-03-14 Soichi Shirai , Hokuto Iwakiri , Keita Kanno , Takahiro Horiba , Keita Omiya , Hirotoshi Hirai , Sho Koh

The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the…

Quantum Physics · Physics 2022-06-23 Guanglei Xu , Yi-Bin Guo , Xuan Li , Zong-Sheng Zhou , Hai-Jun Liao , T. Xiang

In this work, we introduce a new qubit mapping strategy for the Variational Quantum Eigensolver (VQE) applied to nuclear shell model calculations, where each Slater determinant (SD) is mapped to a qubit, rather than assigning qubits to…

Nuclear Theory · Physics 2026-04-14 Chandan Sarma , Paul Stevenson

We explore the industrial and scientific applicability of the VQE-LSTM framework by integrating meta-learning with GPU accelerated quantum simulation using NVIDIA's CUDA-Q (CUDAQ) platform. This work demonstrates how an LSTM-FC…

Quantum Physics · Physics 2026-02-18 Yun-Hsuan Chen , Jen-Yu Chang , Tsung-Wei Huang , En-Jui Kuo

We demonstrate the simulation of a noncollinear molecule, e.g. H2O molecule using Variational Quantum Eigensolver (VQE) with high chemical accuracy. The 2D and 3D potential energy surface (PES) were reported. Taking advantage of the…

Quantum Physics · Physics 2021-09-02 Anh Pham , Daniel Beaulieu
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