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Front Cover
(Source: Computing in Science and Engineering)
Source: Computing in Science and Engineering - June 9, 2023 Category: Information Technology Source Type: research

Computing Edge
(Source: Computing in Science and Engineering)
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

Get Published in the New IEEE Open Journal of the Computer Society
(Source: Computing in Science and Engineering)
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

PyExaFMM: An Exercise in Designing High-Performance Software With Python and Numba
Numba is a game-changing compiler for high-performance computing with Python. It produces machine code that runs outside of the single-threaded Python interpreter, and that fully utilizes the resources of modern CPUs. This means support for parallel multithreading and auto-vectorization if available, as with compiled languages such as C++ or Fortran. In this article, we document our experience developing PyExaFMM, a multithreaded Numba implementation of the fast multipole method, an algorithm with a nonlinear data structure and a large amount of data organization. We find that designing performant Numba code for complex al...
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

Hybrid Models That Combine Machine Learning and Simulations
Simulation experts are now well acquainted with machine learning (ML) techniques, using them to find patterns in data that can later be turned into rules of a simulation or enabling their simulated entities to adapt and learn. In the other direction, ML experts occasionally make use of simulated data to create controlled experiments in which learning algorithms can be evaluated. In this article, we go beyond these typical uses by focusing on current opportunities that have the potential to bring the two research communities together. These opportunities can be realized in areas where the potential of hybrid ML/simulation m...
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

Translating High-Performance Computing Tools From Research to Practice: Experiences With the TAU Performance System
This article briefly describes the project’s research work and the challenges encountered, with a particular emphasis on the translation process necessary to make TAU the leading performance technology it is today. (Source: Computing in Science and Engineering)
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

Computer Society Information
(Source: Computing in Science and Engineering)
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

OpenACC Acceleration of an Agent-Based Biological Simulation Framework
Computational biology has increasingly turned to agent-based modeling to explore complex biological systems. Biological diffusion (diffusion, decay, secretion, and uptake) is a key driver of biological tissues. GPU computing can vastly accelerate the diffusion and decay operators in the partial differential equations used to represent biological transport in an agent-based biological modeling system. In this article, we utilize OpenACC to accelerate the diffusion portion of PhysiCell, a cross-platform agent-based biosimulation framework. We demonstrate an almost 40× speedup on the state-of-the-art NVIDIA Ampere 100 GP...
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

Reproducibility of the First Image of a Black Hole in the Galaxy M87 From the Event Horizon Telescope Collaboration
This article presents an interdisciplinary effort to develop and share sustainable knowledge necessary to analyze, understand, and use published scientific results to advance reproducibility in multimessenger astrophysics. Specifically, we target the breakthrough work associated with generating the first image of a black hole, called M87. The Event Horizon Telescope (EHT) Collaboration computed the image. Based on the artifacts made available by the EHT, we deliver documentation, code, and a computational environment to reproduce the first image of a black hole. Our deliverables support discovery in multimessenger astrophy...
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

Emerging Trends in Machine Learning for Computational Fluid Dynamics
The renewed interest from the scientific community in machine learning (ML) is opening many new areas of research. Here we focus on trends in ML that are providing opportunities to advance the field of computational fluid dynamics (CFD). We discuss synergies between ML and CFD that have already shown benefits, and we also assess areas that are under development and may produce important benefits in the coming years. We believe that it is also important to emphasize a balanced perspective of cautious optimism for these emerging approaches. (Source: Computing in Science and Engineering)
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

Call for Papers: IEEE Quantum Week
(Source: Computing in Science and Engineering)
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

IEEE Computer Society Has You Covered!
(Source: Computing in Science and Engineering)
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

The Princeton University Research Software Engineering Group Model: Operational and Organizational Approaches
This article describes the operation of the central Princeton Research Software Engineering Group, including funding, partner and project selection, and best practices for defining expectations for a successful partnership with researchers. (Source: Computing in Science and Engineering)
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

Research Software Engineering at Oak Ridge National Laboratory
This article describes the mission, culture, and practices of RSE teams at Oak Ridge National Laboratory (ORNL), including their team dynamics and composition, work ethics, standard practices, and ever-evolving skill sets vital to pursuing scientific innovations and implementing novel ideas. We describe the lessons learned from specific activities that contribute to shaping the identity and growth of RSE roles at ORNL. Finally, we provide our view for the near future on effective strategies for establishing, leading, and nurturing RSE teams and building a thriving community in collaboration with science stakeholders. (Sour...
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research

Giving Research Software Engineers a Larger Stage Through the Better Scientific Software Fellowship
The Better Scientific Software Fellowship (BSSwF) was launched in 2018 to foster and promote practices, processes, and tools to improve developer productivity and software sustainability of scientific codes. The BSSwF’s vision is to grow the community with practitioners, leaders, mentors, and consultants to increase the visibility of scientific software. Over the last five years, many fellowship recipients and honorable mentions have identified as research software engineers (RSEs). Case studies from several of the program’s participants illustrate the diverse ways the BSSwF has benefited both the RSE and scien...
Source: Computing in Science and Engineering - May 15, 2023 Category: Information Technology Source Type: research