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Applications like Big Data, Machine Learning, Deep Learning and even other Engineering and Scientific research requires a lot of computing power; making High-Performance Computing (HPC) an important field. But access to Supercomputers is…

We introduce a newly designed undergraduate-level interdisciplinary course in scientific computing that aims to prepare students as the next generation of research-oriented computational scientists and engineers. The course offers students…

In the context of the global energy ecosystem transformation, we introduce a new approach to reduce the carbon emissions of the cloud-computing sector and, at the same time, foster the deployment of small-scale private photovoltaic plants.…

Quantum computing technologies have become a hot topic in academia and industry receiving much attention and financial support from all sides. Building a quantum computer that can be used practically is in itself an outstanding challenge…

Quantum computers use quantum mechanical phenomena to perform conventionally intractable calculations for specific problems. Despite being universal machines, quantum computers are not expected to replace classical computers, but rather, to…

Radical changes in computing are foreseen for the next decade. The US IEEE society wants to "reboot computing" and the HiPEAC Vision 2017 sees the time to "re-invent computing", both by challenging its basic assumptions. This document…

We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…

Computing is at a moment of profound opportunity. Emerging applications -- such as capable artificial intelligence, immersive virtual realities, and pervasive sensor systems -- drive unprecedented demand for computer. Despite recent…

In the last ten years host virtualization has brought a revolution in the way almost every activity related to information technology is thought of and performed. The use of virtualization for HPC and HTC computing, while eagerly desired,…

Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

Quantum computing promises to tackle technological and industrial problems insurmountable for classical computers. However, today's quantum computers still have limited demonstrable functionality, and it is expected that scaling up to…

Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials…

Novel compute systems are an emerging research topic, aiming towards building next-generation compute platforms. For these systems to thrive, they need to be provided as research infrastructure to allow acceptance and usage by a large…

The 3UCubed project is a 3U CubeSat being jointly developed by the University of New Hampshire, Sonoma State University, and Howard University as a part of the NASA Interstellar Mapping and Acceleration Probe, IMAP, student collaboration.…

The challenge of scaling quantum computers to gain computational power is expected to lead to architectures with multiple connected quantum processing units (QPUs), commonly referred to as Distributed Quantum Computing (DQC). In parallel,…

The quantum computation of electronic energies can break the curse of dimensionality that plagues many-particle quantum mechanics. It is for this reason that a universal quantum computer has the potential to fundamentally change…

High performance computing (HPC) and cloud have traditionally been separate, and presented in an adversarial light. The conflict arises from disparate beginnings that led to two drastically different cultures, incentive structures, and…

This paper describes the use of a distributed cloud computing system for high-throughput computing (HTC) scientific applications. The distributed cloud computing system is composed of a number of separate Infrastructure-as-a-Service (IaaS)…

NREL's computational sciences center hosts the largest high-performance computing (HPC) capabilities dedicated to energy research while functioning as a living laboratory for energy-efficient computing. NREL's HPC capabilities support the…

The use of High Performance Computing (HPC) to compliment urgent decision making in the event of disasters is an important future potential use of supercomputers. However, the usage modes involved are rather different from how HPC has been…