259 citations · 1.2k across the 51 of their papers we have counts for
7 papers · 1 filter
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 LSST DESC DC2 Simulated Sky Survey
LSST Dark Energy Science Collaboration, Bela Abolfathi, David Alonso +77
We describe the simulated sky survey underlying the second data challenge (DC2) carried out in preparation for analysis of the Vera C. Rubin Observatory Legacy Survey of Space and…
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…
Toward Enabling Reproducibility for Data-Intensive Research using the Whole Tale Platform
Kyle Chard, Niall Gaffney, Mihael Hategan +9
Whole Tale http://wholetale.org is a web-based, open-source platform for reproducible research supporting the creation, sharing, execution, and verification of "Tales" for the scie…