Tumeo Takes Computational Chemistry to the Extremes
Tumeo will lead the ChemComp project, which was awarded for Exploratory Research in Extreme Scale Science
Decoding Protein Interactions with Domain-Aware Machine Learning
Parallel graph neural networks identify protein-ligand 3-D structural interactions to aid in protein function prediction and drug discovery.
PNNL Joins Science Leaders on National Stage in Seattle
PNNL researchers and professional staff led discussions ranging from biothreats and climate change to science careers at the 2020 annual meeting of the American Association for the Advancement of Science, held this year in Seattle.
New AI approach bridges the “slim-data gap” that can stymie deep learning approaches
Scientists created a fast-track tutorial that equips a neural network to tackle drug discovery and other applications where there's a shortage of precisely labeled chemical data.
Preparing for a Future Pandemic with Artificial Intelligence
PNNL data scientists are refining their artificial intelligence tools with COVID-19 data to advance therapeutics and treatments for a future pandemic.
Adventures of Women in Science
At the center of many research teams are women — scientists and engineers who chase mystery and replace it with discoveries.
Driving Machine Learning to Exascale
Through her role in the Department of Energy’s Advanced Scientific Computing Research-supported ExaLearn project, Jenna Pope is developing deep learning approaches for finding optimal water cluster structures for a variety of applications.
PNNL Climate Research Has Far-Reaching Benefits
PNNL experts perform fundamental climate science work at multiple scales to understand impacts on energy, water, food, and infrastructure systems.
Understanding the Ways of Water
New research makes molecular-level calculations of water faster and easier.
Looking Back, Moving Forward: Reflections from a Decade as PNNL Director
As Laboratory Director Steve Ashby pens his last monthly column, he highlights PNNL’s accomplishments with pride and gratitude.