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Virtualization technology allows currently any application run any application complex and expensive computational (the scientific applications are a good example) on heterogeneous distributed systems, which make regular use of Grid and…
Leveraging spatial sparsity has become a popular approach to accelerate 3D computer graphics applications. Spatially sparse data structures and efficient sparse kernels (such as parallel stencil operations on active voxels), are key to…
Commodity video-gaming hardware (consoles, graphics cards, tablets, etc.) performance has been advancing at a rapid pace owing to strong consumer demand and stiff market competition. Gaming hardware devices are currently amongst the most…
Optimizing the performance of GPU kernels is challenging for both human programmers and code generators. For example, CUDA programmers must set thread and block parameters for a kernel, but might not have the intuition to make a good…
In recent years, it has become increasingly common for high performance computers (HPC) to possess some level of heterogeneous architecture - typically in the form of GPU accelerators. In some machines these are isolated within a dedicated…
Local search plays a central role in many effective heuristic algorithms for the vehicle routing problem (VRP) and its variants. However, neighborhood exploration is known to be computationally expensive and time consuming, especially for…
Splotch is a rendering algorithm for exploration and visual discovery in particle-based datasets coming from astronomical observations or numerical simulations. The strengths of the approach are production of high quality imagery and…
The strategy of using CUDA-compatible GPUs as a parallel computation solution to improve the performance of programs has been more and more widely approved during the last two years since the CUDA platform was released. Its benefit extends…
Convolutional neural networks (CNNs) have demonstrated their superiority in numerous computer vision tasks, yet their computational cost results prohibitive for many real-time applications such as pedestrian detection which is usually…
Traditional optimizing compilers rely on rewrite rules to iteratively apply program transformations. This iterative approach hides optimization opportunities behind intermediate transformation steps. For instance, vectorization can only be…
For searching a new chemical material which satisfies the target characteristic value, for example emission wavelength, many cut and trial of experiments/calculations are required since the chemical space is astronomically large (organic…
GPUs have climbed up to the top of supercomputer systems making life harder to many legacy scientific codes. Nowadays, many recipes are being used in such code's portability, without any clarity of which is the best option. We present a…
Finding the convex hull is a fundamental problem in computational geometry. Quickhull is a fast algorithm for finding convex hulls. In this paper, we present VQhull, a fast parallel implementation of Quickhull that exploits vector…
Due to their chemical and structural diversity, nanoporous materials can be used in a wide variety of applications, including fluid separation, gas storage, heterogeneous catalysis, drug delivery, etc. Given the large and rapidly increasing…
The drug discovery process involves several tasks to be performed in vivo, in vitro and in silico. Molecular docking is a task typically performed in silico. It aims at finding the three-dimensional pose of a given molecule when it…
High-performance computing (HPC) is reshaping computational drug discovery by enabling large-scale, time-efficient molecular simulations. In this work, we explore HPC-driven pipelines for Alzheimer's disease drug discovery, focusing on…
Computational screening of naturally occurring proteins has the potential to identify efficient catalysts among the hundreds of millions of sequences that remain uncharacterized. Current experimental methods remain time, cost and labor…
As computer simulations progress to increasingly complex, non-linear, and three-dimensional systems and phenomena, intuitive and immediate visualization of their results is becoming crucial. While Virtual Reality (VR) and Natural User…
We implement a quantum optimal control algorithm based on automatic differentiation and harness the acceleration afforded by graphics processing units (GPUs). Automatic differentiation allows us to specify advanced optimization criteria and…
The DEEP projects have developed a variety of hardware and software technologies aiming at improving the efficiency and usability of next generation high-performance computers. They evolve around an innovative concept for heterogeneous…