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Bronson Messer

Publications and source records attributed to Bronson Messer.

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Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national laboratories, academia, industry, and community organizations to chart a path toward more powerful, sustainable, and collaborative scientific software ecosystems. To address urgent challenges at the intersection of high-performance computing (HPC), AI, and scientific software, participants envisioned agile, robust ecosystems built through socio-technical co-design--the intentional integration of social and technical components as interdependent parts of a unified strategy. This approach combines advances in AI, HPC, and software with new models for cross-disciplinary collaboration, training, and workforce development. Key recommendations include building modular, trustworthy AI-enabled scientific software systems; enabling scientific teams to integrate AI systems into their workflows while preserving human creativity, trust, and scientific rigor; and creating innovative training pipelines that keep pace with rapid technological change. Pilot projects were identified as near-term catalysts, with initial priorities focused on hybrid AI/HPC infrastructure, cross-disciplinary collaboration and pedagogy, responsible AI guidelines, and prototyping of public-private partnerships. This report presents a vision of next-generation ecosystems for scientific computing where AI, software, hardware, and human expertise are interwoven to drive discovery, expand access, strengthen the workforce, and accelerate scientific progress.

cs.CE

Multidisciplinary Science in the Multimessenger Era

Astrophysical observations of the cosmos allow us to probe extreme physics and answer foundational questions on our universe. Modern astronomy is increasingly operating under a holistic approach, probing the same question with multiple diagnostics including how sources vary over time, how they appear across the electromagnetic spectrum, and through their other signatures, including gravitational waves, neutrinos, cosmic rays, and dust on Earth. Astrophysical observations are now reaching the point where approximate physics models are insufficient. Key sources of interest are explosive transients, whose understanding requires multidisciplinary studies at the intersection of astrophysics, gravity, nuclear science, plasma physics, fluid dynamics and turbulence, computation, particle physics, atomic, molecular, and optical science, condensed matter and materials science, radiation transport, and high energy density physics. This white paper provides an overview of the major scientific advances that lay at the intersection of physics and astronomy and are best probed through time-domain and multimessenger astrophysics, an exploration of how multidisciplinary science can be fostered, and introductory descriptions of the relevant scientific disciplines and key astrophysical sources of interest.

astro-ph.HE

Experiences Readying Applications for Exascale

The advent of exascale computing invites an assessment of existing best practices for developing application readiness on the world's largest supercomputers. This work details observations from the last four years in preparing scientific applications to run on the Oak Ridge Leadership Computing Facility's (OLCF) Frontier system. This paper addresses a range of topics in software including programmability, tuning, and portability considerations that are key to moving applications from existing systems to future installations. A set of representative workloads provides case studies for general system and software testing. We evaluate the use of early access systems for development across several generations of hardware. Finally, we discuss how best practices were identified and disseminated to the community through a wide range of activities including user-guides and trainings. We conclude with recommendations for ensuring application readiness on future leadership computing systems.

cs.DC

Application Experiences on a GPU-Accelerated Arm-based HPC Testbed

This paper assesses and reports the experience of ten teams working to port,validate, and benchmark several High Performance Computing applications on a novel GPU-accelerated Arm testbed system. The testbed consists of eight NVIDIA Arm HPC Developer Kit systems built by GIGABYTE, each one equipped with a server-class Arm CPU from Ampere Computing and A100 data center GPU from NVIDIA Corp. The systems are connected together using Infiniband high-bandwidth low-latency interconnect. The selected applications and mini-apps are written using several programming languages and use multiple accelerator-based programming models for GPUs such as CUDA, OpenACC, and OpenMP offloading. Working on application porting requires a robust and easy-to-access programming environment, including a variety of compilers and optimized scientific libraries. The goal of this work is to evaluate platform readiness and assess the effort required from developers to deploy well-established scientific workloads on current and future generation Arm-based GPU-accelerated HPC systems. The reported case studies demonstrate that the current level of maturity and diversity of software and tools is already adequate for large-scale production deployments.

cs.DC

Flash-X, a multiphysics simulation software instrument

Flash-X is a highly composable multiphysics software system that can be used to simulate physical phenomena in several scientific domains. It derives some of its solvers from FLASH, which was first released in 2000. Flash-X has a new framework that relies on abstractions and asynchronous communications for performance portability across a range of increasingly heterogeneous hardware platforms. Flash-X is meant primarily for solving Eulerian formulations of applications with compressible and/or incompressible reactive flows. It also has a built-in, versatile Lagrangian framework that can be used in many different ways, including implementing tracers, particle-in-cell simulations, and immersed boundary methods.

physics.comp-ph

The Next Generation Global Gravitational Wave Observatory: The Science Book

The next generation of ground-based gravitational-wave detectors will observe coalescences of black holes and neutron stars throughout the cosmos, thousands of them with exceptional fidelity. The Science Book is the result of a 3-year effort to study the science capabilities of networks of next generation detectors. Such networks would make it possible to address unsolved problems in numerous areas of physics and astronomy, from Cosmology to Beyond the Standard Model of particle physics, and how they could provide insights into workings of strongly gravitating systems, astrophysics of compact objects and the nature of dense matter. It is inevitable that observatories of such depth and finesse will make new discoveries inaccessible to other windows of observation. In addition to laying out the rich science potential of the next generation of detectors, this report provides specific science targets in five different areas in physics and astronomy and the sensitivity requirements to accomplish those science goals. This report is the second in a six part series of reports by the GWIC 3G Subcommittee: i) Expanding the Reach of Gravitational Wave Observatories to the Edge of the Universe, ii) The Next Generation Global Gravitational Wave Observatory: The Science Book (this report), iii) 3G R&D: R&D for the Next Generation of Ground-based Gravitational Wave Detectors, iv) Gravitational Wave Data Analysis: Computing Challenges in the 3G Era, v) Future Ground-based Gravitational-wave Observatories: Synergies with Other Scientific Communities, and vi) An Exploration of Possible Governance Models for the Future Global Gravitational-Wave Observatory Network.

gr-qc

Towards the Development of Entropy-Based Anomaly Detection in an Astrophysics Simulation

The use of AI and ML for scientific applications is currently a very exciting and dynamic field. Much of this excitement for HPC has focused on ML applications whose analysis and classification generate very large numbers of flops. Others seek to replace scientific simulations with data-driven surrogate models. But another important use case lies in the combination application of ML to improve simulation accuracy. To that end, we present an anomaly problem which arises from a core-collapse supernovae simulation. We discuss strategies and early successes in applying anomaly detection techniques from machine learning to this scientific simulation, as well as current challenges and future possibilities.

cs.LG

The Yet-Unobserved Multi-Messenger Gravitational-Wave Universe

Observations with next-generation ground-based detectors further enhanced with multi-messenger (electromagnetic and neutrino) detections will allow us to probe new extreme astrophysics. Target sources included: core-collapse supernovae, continuous emission from isolated or accreting neutron stars, and bursts from magnetars and other pulsars.

astro-ph.HE

Defining Big Data Analytics Benchmarks for Next Generation Supercomputers

The design and construction of high performance computing (HPC) systems relies on exhaustive performance analysis and benchmarking. Traditionally this activity has been geared exclusively towards simulation scientists, who, unsurprisingly, have been the primary customers of HPC for decades. However, there is a large and growing volume of data science work that requires these large scale resources, and as such the calls for inclusion and investments in data for HPC have been increasing. So when designing a next generation HPC platform, it is necessary to have HPC-amenable big data analytics benchmarks. In this paper, we propose a set of big data analytics benchmarks and sample codes designed for testing the capabilities of current and next generation supercomputers.

cs.PF

White Paper on Nuclear Astrophysics

This white paper informs the nuclear astrophysics community and funding agencies about the scientific directions and priorities of the field and provides input from this community for the 2015 Nuclear Science Long Range Plan. It summarizes the outcome of the nuclear astrophysics town meeting that was held on August 21-23, 2014 in College Station at the campus of Texas A&M University in preparation of the NSAC Nuclear Science Long Range Plan. It also reflects the outcome of an earlier town meeting of the nuclear astrophysics community organized by the Joint Institute for Nuclear Astrophysics (JINA) on October 9- 10, 2012 Detroit, Michigan, with the purpose of developing a vision for nuclear astrophysics in light of the recent NRC decadal surveys in nuclear physics (NP2010) and astronomy (ASTRO2010). The white paper is furthermore informed by the town meeting of the Association of Research at University Nuclear Accelerators (ARUNA) that took place at the University of Notre Dame on June 12-13, 2014. In summary we find that nuclear astrophysics is a modern and vibrant field addressing fundamental science questions at the intersection of nuclear physics and astrophysics. These questions relate to the origin of the elements, the nuclear engines that drive life and death of stars, and the properties of dense matter. A broad range of nuclear accelerator facilities, astronomical observatories, theory efforts, and computational capabilities are needed. With the developments outlined in this white paper, answers to long standing key questions are well within reach in the coming decade.

astro-ph.SR

A Comparison of Boltzmann and Multigroup Flux-Limited Diffusion Neutrino Transport During the Postbounce Shock Reheating Phase in Core Collapse Supernovae

We compare Newtonian three-flavor multigroup Boltzmann (MGBT) and (Bruenn's) multigroup flux-limited diffusion (MGFLD) neutrino transport in postbounce core collapse supernova environments. We focus our study on quantities central to the postbounce neutrino heating mechanism for reviving the stalled shock. Stationary-state three-flavor neutrino distributions are developed in thermally and hydrodynamically frozen time slices obtained from core collapse and bounce simulations that implement Lagrangian hydrodynamics and MGFLD neutrino transport. Most important, we find, for a region above the gain radius, net heating rates for MGBT that are as much as ~2 times the corresponding MGFLD rates, and net cooling rates below the gain radius that are typically ~0.8 times the MGFLD rates. These differences stem from differences in the neutrino luminosities and mean inverse flux factors, which can be as much as 11% and 24%, respectively. They are greatest at earlier postbounce times for a given progenitor mass and, for a given postbounce time, greater for greater progenitor mass. We discuss the ramifications these new results have for the supernova mechanism.

astro-ph