Related papers: Simulation Software: Then, Now and Virtual Observa…
A Virtual Observatory (VO) will enable transparent and efficient access, search, retrieval, and visualization of data across multiple data repositories, which are generally heterogeneous and distributed. Aspects of data mining that apply to…
The complexity and cost of building and running high-power electrical systems make the use of simulations unavoidable. The simulations available today provide great understanding about how systems really operate. This paper helps the reader…
This paper presents a brief journey to the evolution of computer hardware and software, and underlines that shift to multicore technology is natual part of the evolution, and highlights the various laws governing the advancement of computer…
Molecular dynamics (MD) simulations have become popular in materials science, biochemistry, biophysics and several other fields. Improvements in computational resources, in quality of force field parameters and algorithms have yielded…
Simulations inform all aspects of modern astrophysical research, ranging in scale from 1D and 2D test problems that can run in seconds on an astronomer's laptop all the way to large-scale 3D calculations that run on the largest…
Modern quantum computers rely heavily on real-time control systems for operation. Software for these systems is becoming increasingly more complex due to the demand for more features and more real-time devices to control. Unfortunately,…
The Virtual Observatory (VO) is realizing global electronic integration of astronomy data. One of the long-term goals of the U.S. VO project, the Virtual Astronomical Observatory (VAO), is development of services and protocols that respond…
Computation, the use of a computer to solve, simulate, or visualize a physical problem, has revolutionized how physics research is done. Computation is used widely to model systems, to simulate experiments, and to analyze data. Yet, in most…
In this paper we present Simgrid, a toolkit for the versatile simulation of large scale distributed systems, whose development effort has been sustained for the last fifteen years. Over this time period SimGrid has evolved from a…
Computational physics increasingly depends on large simulation datasets generated by software that remains under active development for many years. In such settings, reproducibility requires not only well documented data but also explicit…
Modern research in the life sciences is unthinkable without computational methods for extracting, quantifying and visualizing information derived from biological microscopy imaging data. In the past decade, we observed a dramatic increase…
Scientific applications produce a huge amount of data, which imposes serious management and analysis challenges. In particular, limitations in current database management systems prevent their adoption in simulation applications, in which…
As software has become an integral part of scientific workflows, reproducible research practices must take it into account. In what way? Archiving source code is a necessary but insufficient condition. The ability to redeploy software…
In the past twelve months, our team has had to move rapidly from conducting most of our user experiments in a laboratory setting, to running experiments in the wild away from the laboratory and without direct synchronous oversight from an…
Cloud computing is the next stage of the internet evolution. It relies on sharing of resources to achieve coherence on a network. It is emerged as new computing standard that impacts several different research fields, including software…
Chemists now routinely use software as part of their work. For example, virtual chemistry allows chemical reactions to be simulated. In particular, a selection of software is available for the visualisation of complex 3-dimensional…
In the ever-changing realm of research software development, it is crucial for the scientific community to grasp current trends to identify gaps that can potentially hinder scientific progress. The adherence to the FAIR (Findable,…
Recent advances in quantum technologies have enabled quantum simulation of gauge theories -- some of the most fundamental frameworks of nature -- in regimes far from equilibrium, where classical computation is severely limited. These…
Virtual Observatories (VOs) are online hubs of scientific knowledge. They encompass a collection of platforms dedicated to the storage and dissemination of astronomical data, from simple data archives to e-research platforms offering…
The knowledge discovery potential of the new large astronomical databases is vast. When these are used in conjunction with the rich legacy data archives, the opportunities for scientific discovery multiply rapidly. A Virtual Observatory…