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Today, many scientific and engineering areas require high performance computing to perform computationally intensive experiments. For example, many advances in transport phenomena, thermodynamics, material properties, computational…
The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…
The great promise of quantum computers comes with the dual challenges of building them and finding their useful applications. We argue that these two challenges should be considered together, by co-designing full-stack quantum computer…
Quantum computing is a new approach to computation that utilizes superposition, entanglement, interference, and tunneling to solve problems too complex for classical computers. This paper discusses the basic concepts and development of…
The emergence of quantum computing technology over the last decade indicates the potential for a transformational impact in the study of quantum mechanical systems. It is natural to presume that such computing technologies would be valuable…
To reproduce eScience, several challenges need to be solved: scientific workflows need to be automated; the involved software versions need to be provided in an unambiguous way; input data needs to be easily accessible; High-Performance…
Incorporating Quantum Computers into High Performance Computing (HPC) environments (commonly referred to as HPC+QC integration) marks a pivotal step in advancing computational capabilities for scientific research. Here we report the…
This Ph.D. thesis deals with the optimization of several renewable energy resources development as well as the improvement of facilities management in oceanic engineering and airports, using computational hybrid methods belonging to AI to…
High-Performance Computing (HPC) systems are among the most energy-intensive scientific facilities, with electric power consumption reaching and often exceeding 20 megawatts per installation. Unlike other major scientific infrastructures…
High Performance Computing (HPC), Artificial Intelligence (AI)/Machine Learning (ML), and Quantum Computing (QC) and communications offer immense opportunities for innovation and impact on society. Researchers in these areas depend on…
ATLAS, a general-purpose experiment at the Large Hadron Collider (LHC), makes use of a large internationally-distributed computing infrastructure, including over $10^6$ TB of managed data on disk and tape and almost one million…
A quantum computer is a hypothetical device in which the laws of quantum mechanics are used to introduce a degree of parallelism into computations and which could therefore significantly improve on the computational speed of a classical…
Several scientific and industry applications require High Performance Computing (HPC) resources to process and/or simulate complex models. Not long ago, companies, research institutes, and universities used to acquire and maintain…
High energy physics (HEP) experiments at the LHC generate data at a rate of $\mathcal{O}(10)$ Terabits per second. This data rate is expected to exponentially increase as experiments will be upgraded in the future to achieve higher…
Quantum computers offer an intriguing path for a paradigmatic change of computing in the natural sciences and beyond, with the potential for achieving a so-called quantum advantage, namely a significant (in some cases exponential) speed-up…
Today's quantum computers are primarily accessible through the cloud and potentially shifting to the edge network in the future. With the rapid advancement and proliferation of quantum computing research worldwide, there has been a…
The world of computing is in rapid transition, now dominated by a world of smartphones and cloud services, with profound implications for the future of advanced scientific computing. Simply put, high-performance computing (HPC) is at an…
Within the next decade, experimental High Energy Physics (HEP) will enter a new era of scientific discovery through a set of targeted programs recommended by the Particle Physics Project Prioritization Panel (P5), including the upcoming…
Context: 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 beyond what the…
High performance computing (HPC) has driven collaborative science discovery for decades. Exascale computing platforms, currently in the design stage, will be deployed around 2022. The next generation of supercomputers is expected to utilize…