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Finding the ground-state energy of molecules is an important and challenging computational problem for which quantum computing can potentially find efficient solutions. The variational quantum eigensolver (VQE) is a quantum algorithm that…

Quantum Physics · Physics 2023-02-15 Daniel Yoffe , Amir Natan , Adi Makmal

Quantum algorithms can be used to perform unsupervised machine learning tasks like data clustering by mapping the distance between data points to a graph optimization problem (i.e. MAXCUT) and finding optimal solution through energy…

Quantum Physics · Physics 2022-02-08 Daniel Beaulieu , Anh Pham

We present a composable design scheme for the development of hybrid quantum/classical algorithms and workflows for applications of quantum simulation. Our object-oriented approach is based on constructing an expressive set of common data…

Modeling composite systems of spins or electrons coupled to bosonic modes is of significant interest for many fields of applied quantum physics and chemistry. A quantum simulation can allow for the solution of quantum problems beyond…

Quantum computing offers a promising paradigm for electromagnetic eigenmode analysis, enabling compact representations of complex field interactions and potential exponential speedup over classical numerical solvers. Recent efforts have…

Quantum Physics · Physics 2025-12-12 Zhixiu Han , Fanxu Meng , Weidong Li , Xutao Yu , Zaichen Zhang

The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues and eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such…

Quantum Physics · Physics 2021-09-01 Dmitry A. Fedorov , Bo Peng , Niranjan Govind , Yuri Alexeev

Compiling quantum algorithms for near-term quantum computers (accounting for connectivity and native gate alphabets) is a major challenge that has received significant attention both by industry and academia. Avoiding the exponential…

The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…

Quantum Physics · Physics 2019-09-12 Michael Kühn , Sebastian Zanker , Peter Deglmann , Michael Marthaler , Horst Weiß

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

The quantum-classical hybrid variational quantum eigensolver (VQE) algorithm is arguably the most popular noisy intermediate-scale quantum (NISQ) era approach to quantum chemistry. We consider the underexplored quantum annealing eigensolver…

The emergence of noisy intermediate-scale quantum (NISQ) computers has important consequences for cryptographic algorithms. It is theoretically well-established that key algorithms used in cybersecurity are vulnerable to quantum computers…

Cryptography and Security · Computer Science 2023-06-06 Sahay Harshvardhan , Sanil Jain , James E. McClure , Caleb McIrvin , Ngoc Quy Tran

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…

Variational quantum algorithms (VQAs) utilize a hybrid quantum-classical architecture to recast problems of high-dimensional linear algebra as ones of stochastic optimization. Despite the promise of leveraging near- to intermediate-term…

Quantum Physics · Physics 2022-11-08 Oliver Knitter , James Stokes , Shravan Veerapaneni

This report offers a comprehensive analysis of the evolving landscape of quantum algorithm software specifically tailored for condensed matter physics. It examines fundamental quantum algorithms such as Variational Quantum Eigensolver…

Strongly Correlated Electrons · Physics 2025-06-19 T. Farajollahpour

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 recent developments of quantum computing present potential novel pathways for quantum chemistry, as the increased computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems.…

Quantum Physics · Physics 2024-03-01 Lila Cadi Tazi , Alex J. W. Thom

A longstanding computational challenge is the accurate simulation of many-body particle systems. Especially for deriving key characteristics of high-impact but complex systems such as battery materials and high entropy alloys (HEA). While…

Quantum Physics · Physics 2025-11-20 Koen Mesman , Yinglu Tang , Matthias Moller , Boyang Chen , Sebastian Feld

We report a first demonstration for the application of quantum computing to heavy quarkonium spectroscopy study. Based on a Cornell-potential model for the heavy quark and antiquark system, we show how this Hamiltonian problem can be…

Nuclear Theory · Physics 2023-04-26 Daniel Gallimore , Jinfeng Liao

Quantum chemistry and materials is one of the most promising applications of quantum computing. Yet much work is still to be done in matching industry-relevant problems in these areas with quantum algorithms that can solve them. Most…

Quantum computing has the potential to provide exponential performance benefits in processing over classical computing. It utilizes quantum mechanics phenomena (such as superposition, entanglement, and interference) to solve a computational…

Quantum Physics · Physics 2023-03-08 Himanshu Sahu , Hari Prabhat Gupta
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