214 citations · 431 across the 11 of their papers we have counts for
3 papers · 1 filter
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…
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…