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High-throughput computational screening of polymers offers a powerful way to address the imbalance between the vast number of polymers synthesised for diverse applications and the relatively small subset that can be studied using atomistic…
Some mission critical systems, e.g., fraud detection, require accurate, real-time metrics over long time sliding windows on applications that demand high throughput and low latencies. As these applications need to run 'forever' and cope…
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 introduce a particle-based simulation method for granular material in interactive frame rates. We divide the simulation into two decoupled steps. In the first step, a relatively small number of particles is accurately simulated with a…
Stochastic computing (SC) is an emerging computing technique that promises high density, low power, and error tolerant solutions. In SC, values are encoded as unary bitstreams and SC arithmetic circuits operate on one or more bitstreams. In…
Running scientific workflows on a supercomputer can be a daunting task for a scientific domain specialist. Workflow management solutions (WMS) are a standard method for reducing the complexity of application deployment on high performance…
The problem of counting collisions or interactions is common in areas as computer graphics and scientific simulations. Since it is a major bottleneck in applications of these areas, a lot of research has been carried out on such subject,…
Hybrid systems are increasingly used in critical applications such as medical devices, infrastructure systems, and autonomous vehicles. Lince is an academic tool for specifying and simulating such systems using a C-like language with…
Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…
Cloud computing provides a great opportunity for scientists, as it enables large-scale experiments that cannot are too long to run on local desktop machines. Cloud-based computations can be highly parallel, long running and data-intensive,…
Some mission critical systems, such as fraud detection, require accurate, real-time metrics over long time windows on applications that demand high throughputs and low latencies. As these applications need to run "forever", cope with large…
The high-performance computing (HPC) community has recently seen a substantial diversification of hardware platforms and their associated programming models. From traditional multicore processors to highly specialized accelerators, vendors…
The exponential growth of data in Astrophysics and Cosmology demands scalable computational tools and intuitive interfaces for analysis and visualization. In this work, we present an innovative integration of the VisIVO scientific…
Hyperspectral (HS) imaging presents itself as a non-contact, non-ionizing and non-invasive technique, proven to be suitable for medical diagnosis. However, the volume of information contained in these images makes difficult providing the…
Input devices, such as buttons and sliders, are the foundation of any interface. The typical user-centered design workflow requires the developers and users to go through many iterations of design, implementation, and analysis. The…
Technological advances are creating exciting new opportunities that have the potential to move HPC well beyond traditional computational workloads. In this paper we focus on the potential for HPC to be instrumental in responding to…
Supercomputers are complex systems producing vast quantities of performance data from multiple sources and of varying types. Performance data from each of the thousands of nodes in a supercomputer tracks multiple forms of storage, memory,…
The evolution of floating-point computation has been shaped by algorithmic advancements, architectural innovations, and the increasing computational demands of modern technologies, such as artificial intelligence (AI) and high-performance…
Important computational physics problems are often large-scale in nature, and it is highly desirable to have robust and high performing computational frameworks that can quickly address these problems. However, it is no trivial task to…
Hard spheres are arguably one of the most fundamental model systems in soft matter physics, and hence a common topic of simulation studies. Event-driven simulation methods provide an efficient method for studying the phase behavior and…