activity
20072026
most citedNWChem: Past, Present, and Future

699 citations · 759 across the 10 of their papers we have counts for

collaborators

11 papers

cs.CE2026

Report of the 2026 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

Lois Curfman McInnes, Dorian Arnold, Prasanna Balaprakash +45

Scientific computing is undergoing rapid transformation as advances in artificial intelligence, heterogeneous computing, automation, and data-intensive research reshape not only co…

cs.CE2025

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

Lois Curfman McInnes, Dorian Arnold, Prasanna Balaprakash +40

This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Sc…

cs.SE2025

Do Research Software Engineers and Software Engineering Researchers Speak the Same Language?

Timo Kehrer, Robert Haines, Guido Juckeland +2

Anecdotal evidence suggests that Research Software Engineers (RSEs) and Software Engineering Researchers (SERs) often use different terminologies for similar concepts, creating com…

cs.CY2023

A cast of thousands: How the IDEAS Productivity project has advanced software productivity and sustainability

Lois Curfman McInnes, Michael Heroux, David E. Bernholdt +31

Computational and data-enabled science and engineering are revolutionizing advances throughout science and society, at all scales of computing. For example, teams in the U.S. DOE E…

cs.SE2022★ 3 cited

Giving RSEs a Larger Stage through the Better Scientific Software Fellowship

William F. Godoy, Ritu Arora, Keith Beattie +11

The Better Scientific Software Fellowship (BSSwF) was launched in 2018 to foster and promote practices, processes, and tools to improve developer productivity and software sustaina…

cs.DC2022

ECP SOLLVE: Validation and Verification Testsuite Status Update and Compiler Insight for OpenMP

Thomas Huber, Swaroop Pophale, Nolan Baker +9

The OpenMP language continues to evolve with every new specification release, as does the need to validate and verify the new features that have been introduced. With the release o…