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The increasing growth of data volume, and the consequent explosion in demand for computational power, are affecting scientific computing, as shown by the rise of extreme data scientific workflows. As the need for computing power increases,…

Emerging Technologies · Computer Science 2024-04-17 Sandeep Suresh Cranganore , Vincenzo De Maio , Ivona Brandic , Ewa Deelman

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…

Progress in science is deeply bound to the effective use of high-performance computing infrastructures and to the efficient extraction of knowledge from vast amounts of data. Such data comes from different sources that follow a cycle…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-15 Rosa M Badia , Jorge Ejarque , Francesc Lordan , Daniele Lezzi , Javier Conejero , Javier Álvarez Cid-Fuentes , Yolanda Becerra , Anna Queralt

Achieving high-performance computation on quantum systems presents a formidable challenge that necessitates bridging the capabilities between quantum hardware and classical computing resources. This study introduces an innovative…

Quantum Physics · Physics 2024-03-19 Kuan-Cheng Chen , Xiaoren Li , Xiaotian Xu , Yun-Yuan Wang , Chen-Yu Liu

The complexity of biological systems, governed by molecular interactions across hierarchical scales, presents a challenge for computational modeling. While advances in multiomic profiling have enabled precise measurements of biological…

Quantum Physics · Physics 2025-06-18 Michael Kubal , Sonika Johri

Quantum computing, an innovative computing system carrying prominent processing rate, is meant to be the solutions to problems in many fields. Among these realms, the most intuitive application is to help chemical researchers correctly…

Quantum Physics · Physics 2022-12-29 Qingchun Wang , Huan-Yu Liu , Qing-Song Li , Jianyu Zhao , Qiankun Gong , Ye Li , Yu-Chun Wu , Guo-Ping Guo

Quantum computing has the potential to surpass the capabilities of current classical computers when solving complex problems. Combinatorial optimization has emerged as one of the key target areas for quantum computers as problems found in…

Quantum Physics · Physics 2023-07-27 Juan Giraldo , José Ossorio , Norha M. Villegas , Gabriel Tamura , Ulrike Stege

Rapid advancements in cloud based platforms providing access to quantum computing capabilities have opened up several challenges for efficient usage of these highly delicate and costly devices. Although most of the current systems use a…

Quantum Physics · Physics 2026-05-19 Abhishek Sawaika , Udaya Parampalli , Rajkumar Buyya

As quantum computing advances from theoretical promise to experimental reality, the need for rigorous experiment tracking becomes critical. Drawing inspiration from best practices in machine learning (ML) and artificial intelligence (AI),…

Quantum Physics · Physics 2025-07-10 Mahee Gamage , Otso Kinanen , Jake Muff , Vlad Stirbu

We introduce MindSpore Quantum, a pioneering hybrid quantum-classical framework with a primary focus on the design and implementation of noisy intermediate-scale quantum (NISQ) algorithms. Leveraging the robust support of MindSpore, an…

We present QDK/Chemistry, a software toolkit for quantum chemistry workflows targeting quantum computers. The toolkit addresses a key challenge in the field: while quantum algorithms for chemistry have matured considerably, the…

Corrosion presents a major challenge to the longevity and reliability of products across various industries, particularly in the aerospace sector. Corrosion arises from chemical processes occurring on an atomistic scale, which lead to…

Quantum Computing (QC) offers significant potential to enhance scientific discovery in fields such as quantum chemistry, optimization, and artificial intelligence. Yet QC faces challenges due to the noisy intermediate-scale quantum era's…

Quantum cloud computing enables remote access to quantum processors, yet the heterogeneity and noise of available quantum hardware create significant challenges for efficient resource orchestration. These issues complicate the optimization…

Quantum Physics · Physics 2025-08-08 Hoa T. Nguyen , Muhammad Usman , Rajkumar Buyya

Quantum Computing (QC) refers to an emerging paradigm that inherits and builds with the concepts and phenomena of Quantum Mechanic (QM) with the significant potential to unlock a remarkable opportunity to solve complex and computationally…

Quantum computing is advancing rapidly in hardware and algorithms, but broad accessibility demands a comprehensive, efficient, unified software stack. Such a stack must flexibly span diverse hardware and evolving algorithms, expose usable…

High-Performance Computing (HPC) systems are the most powerful tools that we currently have to solve complex scientific simulations. Quantum computing (QC) has the potential to enhance HPC systems by accelerating the execution of specific…

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…

Quantum Computers offer an intriguing challenge in modern Computer Science. With the inevitable physical limitations to Moore's Law, quantum hardware provides avenues to solve grander problems faster by utilizing Quantum Mechanical…

Emerging Technologies · Computer Science 2024-07-17 Samuel T. Bieberich , Ketan C. Maheshwari , Sean R. Wilkinson , Prasanna Date , In-Saeng Suh , Rafael Ferreira da Silva

Artificial intelligence is transforming molecular and materials science, but its growing computational and data demands raise critical sustainability challenges. In this Perspective, we examine resource considerations across the AI-driven…

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