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cs.DC2025
Addressing Reproducibility Challenges in HPC with Continuous Integration
Valérie Hayot-Sasson, Nathaniel Hudson, André Bauer +3
The high-performance computing (HPC) community has adopted incentive structures to motivate reproducible research, with major conferences awarding badges to papers that meet reprod…
cs.DC2025
MOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow
Xiaoli Yan, Nathaniel Hudson, Hyun Park +15
We present MOFA, an open-source generative AI (GenAI) plus simulation workflow for high-throughput generation of metal-organic frameworks (MOFs) on large-scale high-performance com…