214 citations · 1.4k across the 34 of their papers we have counts for
7 papers · 1 filter
Accelerated, Scalable and Reproducible AI-driven Gravitational Wave Detection
E. A. Huerta, Asad Khan, Xiaobo Huang +10
The development of reusable artificial intelligence (AI) models for wider use and rigorous validation by the community promises to unlock new opportunities in multi-messenger astro…
HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data
Sutanay Choudhury, Jenna A. Bilbrey, Logan Ward +5
Intermolecular and long-range interactions are central to phenomena as diverse as gene regulation, topological states of quantum materials, electrolyte transport in batteries, and…
Towards Online Steering of Flame Spray Pyrolysis Nanoparticle Synthesis
Maksim Levental, Ryan Chard, Joseph A. Libera +8
Flame Spray Pyrolysis (FSP) is a manufacturing technique to mass produce engineered nanoparticles for applications in catalysis, energy materials, composites, and more. FSP instrum…
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads
Aymen Al Saadi, Dario Alfe, Yadu Babuji +33
The drug discovery process currently employed in the pharmaceutical industry typically requires about 10 years and $2-3 billion to deliver one new drug. This is both too expensive…
The Data Station: Combining Data, Compute, and Market Forces
Raul Castro Fernandez, Kyle Chard, Ben Blaiszik +7
This paper introduces Data Stations, a new data architecture that we are designing to tackle some of the most challenging data problems that we face today: access to sensitive data…
Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release
Yadu Babuji, Ben Blaiszik, Tom Brettin +15
Researchers across the globe are seeking to rapidly repurpose existing drugs or discover new drugs to counter the the novel coronavirus disease (COVID-19) caused by severe acute re…
funcX: A Federated Function Serving Fabric for Science
Ryan Chard, Yadu Babuji, Zhuozhao Li +5
Exploding data volumes and velocities, new computational methods and platforms, and ubiquitous connectivity demand new approaches to computation in the sciences. These new approach…