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QC Lab is an open-source Python package for QC dynamics simulations aimed to promote the development of QC algorithms, and their application to a wide variety of relevant model problems. It follows a modular design that facilitates…
The advances in data, computing and networking over the last two decades led to a shift in many application domains that includes machine learning on big data as a part of the scientific process, requiring new capabilities for integrated…
The Sustainability and Industry Partnership Work Group (SIP-WG) is a part of the National Cancer Institute Informatics Technology for Cancer Research (ITCR) program. The charter of the SIP-WG is to investigate options of long-term…
Novel compute systems are an emerging research topic, aiming towards building next-generation compute platforms. For these systems to thrive, they need to be provided as research infrastructure to allow acceptance and usage by a large…
In this paper, we discuss the need for an integrated software stack that unites artificial intelligence (AI) and modeling and simulation (ModSim) tools to advance scientific discovery. The authors advocate for a unified AI/ModSim software…
preCICE is a free/open-source coupling library. It enables creating partitioned multi-physics simulations by gluing together separate software packages. This paper summarizes the development efforts in preCICE of the past five years. During…
Computer simulations have become a very powerful tool for scientific research. In order to facilitate research in computational biology, the BioDynaMo project aims at a general platform for biological computer simulations, which should be…
The process of engineering and deploying applications in the edge/embedded space is massively complicated by the non-homogeneous nature of the software stack and the complexity of diagnostics & debugging. Often different languages and…
Variations in High Performance Computing (HPC) system software configurations mean that applications are typically configured and built for specific HPC environments. Building applications can require a significant investment of time and…
The Computational Infrastructure for Geodynamics (CIG) is an NSF funded project that develops, supports, and disseminates community-accessible software for the geodynamics research community. CIG software supports a variety of computational…
Oftentimes, there is a need to experiment with different programming languages and technologies when designing software applications. Such experiments must be reproducible and share-able within a team workplace, and manual effort should be…
The Open-Source Software community has become the center of attention for many researchers, who are investigating various aspects of collaboration in this extremely large ecosystem. Due to its size, it is difficult to grasp whether or not…
Cloud-based software systems are increasingly becoming complex and operating in highly dynamic environments. Self-adaptivity and self-awareness have recently emerged to cope with such level of dynamicity and scalability. Meanwhile,…
Eventual consistency is a more natural model than strong consistency for a distributed system, since it is closer to the underlying physical reality. Therefore, we propose that it is important to find a programming model that is both…
Drawing on ideas from continuous integration, we present concepts of an automated benchmarking pipeline for high performance applications. Customization and collaboration have been key design goals owing to the requirements of…
Software is intangible and knowledge about software systems is typically tacit. The mental model of software developers is thus an important factor in software engineering. It is our vision that developers should be able to refer to code as…
Testing is a core software development activity that has huge potential to make software development more sustainable. In this paper, we discuss how environmental, social, economic, and technical sustainability map onto the activities of…
The drive for reproducibility in the computational sciences has provoked discussion and effort across a broad range of perspectives: technological, legislative/policy, education, and publishing. Discussion on these topics is not new, but…
Reproducibility of computational research is critical for ensuring transparency, reliability and reusability. Challenges with computational reproducibility have been documented in several fields, but healthcare discrete-event simulation…
Automated debugging, long pursued in a variety of fields from software engineering to cybersecurity, requires a framework that offers the building blocks for a programmable debugging workflow. However, existing debuggers are primarily…