Related papers: Improving Interoperability in Scientific Computing…
Mathematical formulae carry complex and essential semantic information in a variety of formats. Accessing this information with different systems requires a standardized machine-readable format that is capable of encoding presentational and…
This document explores the advantages of integrating open source software and practices in managing a scientific lab, emphasizing reproducibility and the avoidance of pitfalls. It details practical applications from website management using…
Objective: To create a commons for infectious disease (ID) epidemiology in which epidemiologists, public health officers, data producers, and software developers can not only share data and software, but receive assistance in improving…
Debugging parallel and distributed programs is a difficult activitiy due to the multiplicity of sequential bugs, the existence of malign effects like race conditions and deadlocks, and the huge amounts of data that have to be processed.…
The use of several open source scientific packages in the Schr\"odinger Materials Science Suite will be discussed. A typical workflow for materials discovery will be described, discussing how open source packages have been incorporated at…
Heterogeneous distributed systems, including the Internet of Things (IoT) or distributed cyber-physical systems (CPS), often suffer a lack of interoperability and security, which hinders the wider deployment of such systems. Specifically,…
In the realm of scientific computing, both Julia and Python have established themselves as powerful tools. Within the context of High Energy Physics (HEP) data analysis, Python has been traditionally favored, yet there exists a compelling…
The paper proposes an approach to transcend multicultural and multilingual barriers in the use and reuse of geographical data at the European level. The approach aims at sharing scientific terms in the field of nature conservation with the…
Automated and computerised control of scientific instrumentation is almost ubiquitous in the modern laboratory. Most instrumentation is controlled over decades old communication busses or is accessed via proprietary system libraries. This…
The Message Passing Interface (MPI) is the prevalent programming model used on today's supercomputers. Therefore, MPI library developers are looking for the best possible performance (shortest run-time) of individual MPI functions across…
This paper presents the design and implementation of a modular multi-document interface (MDI) framework for scientific visualization and simulation in the Java Virtual Machine (JVM) ecosystem. The framework emphasizes architectural…
Since the C++ bindings were deleted in 2008, the Message Passing Interface (MPI) community has revived efforts in building high-level modern C++ interfaces. Such interfaces are either built to serve specific scientific application needs…
Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are…
Information technology and data science development stimulate transformation in many fields of scientific knowledge. In recent years, a large number of specialized systems for information and knowledge management have been created in…
Modern interconnects offer remote direct memory access (RDMA) features. Yet, most applications rely on explicit message passing for communications albeit their unwanted overheads. The MPI-3.0 standard defines a programming interface for…
We introduce process-oriented programming as a natural extension of object-oriented programming for parallel computing. It is based on the observation that every class of an object-oriented language can be instantiated as a process,…
The explosive demand for artificial intelligence (AI) workloads has led to a significant increase in silicon area dedicated to lower-precision computations on recent high-performance computing hardware designs. However, mixed-precision…
Parallel jobs are different from sequential jobs and require a different type of process management. We present here a process management system for parallel programs such as those written using MPI. A primary goal of the system, which we…
The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enhancing the accessibility and discoverability of materials…
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…