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20222026
most citedA generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture

102 citations · 115 across the 7 of their papers we have counts for

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cs.DC2025★ 2 cited

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…

cs.DC2022

Real-Time Streaming and Event-driven Control of Scientific Experiments

Jakob R. Elias, Ryan Chard, Maksim Levental +3

Advancements in scientific instrument sensors and connected devices provide unprecedented insight into ongoing experiments and present new opportunities for control, optimization,…