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Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jinzhao Sun , Xiao Yuan , Han-Shi Hu , Hung Q. Pham , Dingshun Lv

Quantum computing holds promise for revolutionizing computational chemistry simulations, particularly in drug discovery. However, current quantum hardware is limited by noise and scale, necessitating bridging technologies. This study…

Quantum Physics · Physics 2025-04-16 Marek Kowalik , Ellen Michael , Peter Pogány , Phalgun Lolur

The design of efficient quantum circuits is an important issue in quantum computing. It is in general a formidable task to find a highly optimized quantum circuit for a given unitary matrix. We propose a quantum circuit design method that…

Quantum Physics · Physics 2023-11-27 Andreas Klappenecker , Martin Roetteler

The assumption of maximum parallelism support for the successful realization of scalable quantum computers has led to homogeneous, ``sea-of-qubits'' architectures. The resulting architectures overcome the primary challenges of reliability…

We apply numerical optimization and linear algebra algorithms for classical computers to the problem of automatically synthesizing algorithms for quantum computers. Using our framework, we apply several common techniques from these…

Numerical Analysis · Mathematics 2025-09-16 Yuxin Huang , Benjamin E. Grossman-Ponemon , David A. B. Hyde

Quantum optimization has emerged as a promising frontier of quantum computing, providing novel numerical approaches to mathematical optimization problems. The main goal of this paper is to facilitate interdisciplinary research between the…

Optimization and Control · Mathematics 2025-09-05 Alexey Bochkarev , Raoul Heese , Sven Jäger , Philine Schiewe , Anita Schöbel

Quantum reservoir computing has emerged as a promising paradigm within the field of quantum machine learning, harnessing the inherent properties of quantum systems to optimise and enhance information processing capabilities. Here, we…

Quantum Physics · Physics 2025-09-03 Adam Burgess , Marian Florescu

The emergence of quantum computing proposes a revolutionary paradigm that can radically transform numerous scientific and industrial application domains. The ability of quantum computers to scale computations implies better performance and…

Software Engineering · Computer Science 2024-03-29 Vlad Stirbu , Majid Haghparast

Quantum computing leverages the quantum resources of superposition and entanglement to efficiently solve computational problems considered intractable for classical computers. Examples include calculating molecular and nuclear structure,…

Using the properties of quantum superposition, we propose a quantum classification algorithm to efficiently perform multi-class classification tasks, where the training data are loaded into parameterized operators which are applied to the…

Quantum Physics · Physics 2022-03-09 Anqi Zhang , Xiaoyun He , Shengmei Zhao

Quantum computing has emerged as a transformative paradigm, capable of tackling complex computational problems that are infeasible for classical methods within a practical timeframe. At the core of this advancement lies the concept of…

Quantum Physics · Physics 2025-02-10 Hyunju Lee , Kyungtaek Jun

In the last couple of decades, the world has seen several stunning instances of quantum algorithms that provably outperform the best classical algorithms. For most problems, however, it is currently unknown whether quantum algorithms can…

Quantum algorithms are getting extremely popular due to their potential to significantly outperform classical algorithms. Yet, applying quantum algorithms to optimization problems meets challenges related to the efficiency of quantum…

Quantum simulation is a foundational application for quantum computers, projected to offer insights into complex quantum systems beyond the reach of classical computation. However, with the exception of Trotter-based methods, which suffer…

Quantum Physics · Physics 2026-02-10 Amir Kalev , Itay Hen

Quantum sensing exploits quantum phenomena to enhance the detection and estimation of classical parameters of physical systems and biological entities, particularly so as to overcome the inefficiencies of its classical counterparts. A…

Quantum computers based on superconducting circuits are experiencing a rapid development, aiming at outperforming classical computers in certain useful tasks in the near future. However, the currently available chip fabrication technologies…

Quantum Physics · Physics 2020-07-29 Asier Galicia , Borja Ramon , Enrique Solano , Mikel Sanz

Conformation generation, also known as molecular unfolding (MU), is a crucial step in structure-based drug design, remaining a challenging combinatorial optimization problem. Quantum annealing (QA) has shown great potential for solving…

Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective…

Quantum Physics · Physics 2024-01-23 Cong Lei , Yuxuan Du , Peng Mi , Jun Yu , Tongliang Liu

Protein design is a technique to engineer proteins by modifying their sequence to obtain novel functionalities. In this method, amino acids in the sequence are permutated to find the low energy states satisfying the configuration. However,…

Quantitative Methods · Quantitative Biology 2023-05-10 Mohammad Hassan Khatami , Udson C. Mendes , Nathan Wiebe , Philip M. Kim

The work explores the integration of quantum computing into logistics and supply chain management, emphasising its potential for use in complex optimisation problems. The discussion introduces quantum computing principles, focusing on…

Quantum Physics · Physics 2025-04-03 Frank Phillipson
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