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The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…

We present a new optimization method for small-to-intermediate scale variational algorithms on noisy near-term quantum processors which uses a Gaussian process surrogate model equipped with a classically-evaluated quantum kernel.…

Quantum Physics · Physics 2023-08-16 Alistair W. R. Smith , A. J. Paige , M. S. Kim

Current approaches to fault-tolerant quantum computation will not enable useful quantum computation on near-term devices of 50 to 100 qubits. Leading proposals, such as the color code and surface code schemes, must devote a large fraction…

Quantum Physics · Physics 2017-11-08 Peter D. Johnson , Jonathan Romero , Jonathan Olson , Yudong Cao , Alán Aspuru-Guzik

Variational quantum algorithms (VQAs) are hybrid quantum-classical approaches used for tackling a wide range of problems on noisy intermediate-scale quantum (NISQ) devices. Testing these algorithms on relevant hardware is crucial to…

Variational quantum algorithms (VQAs) are promising methods to demonstrate quantum advantage on near-term devices as the required resources are divided between a quantum simulator and a classical optimizer. As such, designing a VQA which is…

Quantum Physics · Physics 2022-05-20 Yuhan Huang , Qingyu Li , Xiaokai Hou , Rebing Wu , Man-Hong Yung , Abolfazl Bayat , Xiaoting Wang

Lattice models have been used extensively over the past thirty years to examine the principles of protein folding and design. These models can be used to determine the conformation of the lowest energy fold out of a large number of possible…

Quantum Physics · Physics 2018-11-05 Tomáš Babej , Christopher Ing , Mark Fingerhuth

Variational quantum algorithms are a class of techniques intended to be used on near-term quantum computers. The goal of these algorithms is to perform large quantum computations by breaking the problem down into a large number of shallow…

Quantum Physics · Physics 2023-03-24 Ryan Shaffer , Lucas Kocia , Mohan Sarovar

We apply a hybrid evolutionary algorithm to minimize the depth of circuits in quantum computing. More specifically, we evaluate two different variants of the algorithm. In the first approach, we combine the evolutionary algorithm with an…

While variational quantum algorithms (VQAs) have demonstrated considerable success in unconstrained optimization, their application to constrained combinatorial problems face a trade-off. Penalty-based methods, despite their circuit…

Quantum Physics · Physics 2026-03-09 Hui-Min Li , Yuan-Liang Han , Zhi-Xi Wang , Shao-Ming Fei

The variational principle serves as a fundamental framework for describing equilibrium states of physical systems via the minimization or extremization of an energy-like functional. While quantum algorithms have demonstrated promising…

Quantum Physics · Physics 2025-08-26 Katsuhiro Endo , Kazuaki Z. Takahashi

Quantum computation promises to advance a wide range of computational tasks. However, current quantum hardware suffers from noise and is too small for error correction. Thus, accurately utilizing noisy quantum computers strongly relies on…

Optimization and Control · Mathematics 2024-12-16 Friedrich Wagner , Daniel J. Egger , Frauke Liers

Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum…

Recent technological developments have focused the interest of the quantum computing community on investigating how near-term devices could outperform classical computers for practical applications. A central question that remains open is…

Quantum Physics · Physics 2021-11-24 Daniel Stilck Franca , Raul Garcia-Patron

Variational quantum circuits build the foundation for various classes of quantum algorithms. In a nutshell, the weights of a parametrized quantum circuit are varied until the empirical sampling distribution of the circuit is sufficiently…

Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…

Quantum Physics · Physics 2020-06-25 Andrew Zhao , Andrew Tranter , William M. Kirby , Shu Fay Ung , Akimasa Miyake , Peter Love

Variational quantum algorithms constitute one of the most widespread methods for using current noisy quantum computers. However, it is unknown if these heuristic algorithms provide any quantum-computational speedup, although we cannot…

Quantum error correction is believed to be a necessity for large-scale fault-tolerant quantum computation. In the past two decades, various constructions of quantum error-correcting codes (QECCs) have been developed, leading to many good…

Quantum Physics · Physics 2022-10-07 Chenfeng Cao , Chao Zhang , Zipeng Wu , Markus Grassl , Bei Zeng

Due to the unreliability and limited capacity of existing quantum computer prototypes, quantum circuit simulation continues to be a vital tool for validating next generation quantum computers and for studying variational quantum algorithms,…

Quantum Physics · Physics 2021-04-01 Yipeng Huang , Steven Holtzen , Todd Millstein , Guy Van den Broeck , Margaret Martonosi

Lattice protein folding models are a cornerstone of computational biophysics. Although these models are a coarse grained representation, they provide useful insight into the energy landscape of natural proteins. Finding low-energy…

Variational quantum machine learning algorithms have become the focus of recent research on how to utilize near-term quantum devices for machine learning tasks. They are considered suitable for this as the circuits that are run can be…

Quantum Physics · Physics 2022-12-20 Andrea Skolik , Stefano Mangini , Thomas Bäck , Chiara Macchiavello , Vedran Dunjko