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Workflow management systems allow the users to develop complex applications at a higher level, by orchestrating functional components without handling the implementation details. Although a wide range of workflow engines are developed in…
Grid Computing has made substantial advances in the past decade; these are primarily due to the adoption of standardized Grid middleware. However Grid computing has not yet become pervasive because of some barriers that we believe have been…
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…
Blockchain systems are challenged by the so-called Trilemma tradeoff: decentralization, scalability and security. Infrastructure and node configuration, choice of the Consensus Protocol and complexity of the application transactions are…
We present the open source Astrophysical Multi-purpose Software Environment (AMUSE, www.amusecode.org), a component library for performing astrophysical simulations involving different physical domains and scales. It couples existing codes…
This article presents MuMFiM, an open source application for multiscale modeling of fibrous materials on massively parallel computers. MuMFiM uses two scales to represent fibrous materials such as biological network materials (extracellular…
We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale application. MUSE facilitates the coupling of existing codes written in different…
Delivering hands-on practice laboratories for introductory courses on operating systems is a difficult task. One of the main sources of the difficulty is the sheer size and complexity of the operating systems software. Consequently, some of…
As the Science Mission Directorate contemplates establishing an open code policy, we consider it timely to share our experiences as the developers of the open-source partial differential equation solver Dedalus. Dedalus is a flexible…
Since its inception in 1995, LAMMPS has grown to be a world-class molecular dynamics code, with thousands of users, over one million lines of code, and multi-scale simulation capabilities. We discuss how LAMMPS has adapted to the modern…
Typically, even low-level operating system concepts, such as resource sharing strategies and predictability measures, are evaluated with Linux on PC hardware. This leaves a large gap to real industrial applications. Hence, the direct…
Algorithm Operating System (AlgOS) is an unopinionated, extensible, modular framework for algorithmic implementations. AlgOS offers numerous features: integration with Optuna for automated hyperparameter tuning; automated argument parsing…
SISSO (sure-independence screening and sparsifying operator) is an artificial intelligence (AI) method based on symbolic regression and compressed sensing widely used in materials science research. SISSO++ is its C++ implementation that…
Distributed quantum information processing seeks to overcome the scalability limitations of monolithic quantum devices by interconnecting multiple quantum processing nodes via classical and quantum communication. This approach extends the…
MiMiC is a framework for modeling large-scale chemical processes that require treatment at multiple resolutions. It does not aim to implement single-handedly all methods required to treat individual subsystems, but instead, it relegates…
To perform their daily tasks, developers intensively make use of existing resources by consulting open-source software (OSS) repositories. Such platforms contain rich data sources, e.g., code snippets, documentation, and user discussions,…
This paper presents SYMBIOSIS, an AI-powered framework and platform designed to make Systems Thinking accessible for addressing societal challenges and unlock paths for leveraging systems thinking frameworks to improve AI systems. The…
We introduce the Piquasso quantum programming framework, a full-stack open-source software platform for the simulation and programming of photonic quantum computers. Piquasso can be programmed via a high-level Python programming interface…
MiMiC is a flexible and efficient framework for multiscale simulations in which different subsystems are treated by individual client programs. In this work, we present a new interface with OpenMM to be used as an MM client program and we…
Modern heterogeneous System-on-Chip (SoC) devices integrate advanced components into a single package, offering powerful capabilities while also introducing significant complexity. To manage these sophisticated devices, firmware and…