activity
20212023
most citedA generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture

102 citations · 174 across the 13 of their papers we have counts for

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5 papers · 1 filter

cs.DC2023★ 11 cited

Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources

Logan Ward, J. Gregory Pauloski, Valerie Hayot-Sasson +7

Applications that fuse machine learning and simulation can benefit from the use of multiple computing resources, with, for example, simulation codes running on highly parallel supe…

cs.DC2022

Globus Automation Services: Research process automation across the space-time continuum

Ryan Chard, Jim Pruyne, Kurt McKee +5

Research process automation -- the reliable, efficient, and reproducible execution of linked sets of actions on scientific instruments, computers, data stores, and other resources…

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,…

cs.DC2021★ 1 cited

High-Performance Ptychographic Reconstruction with Federated Facilities

Tekin Bicer, Xiaodong Yu, Daniel J. Ching +5

Beamlines at synchrotron light source facilities are powerful scientific instruments used to image samples and observe phenomena at high spatial and temporal resolutions. Typically…

cs.DC2021

Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations

Alexander Brace, Igor Yakushin, Heng Ma +7

Machine learning (ML)-based steering can improve the performance of ensemble-based simulations by allowing for online selection of more scientifically meaningful computations. We p…