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ORNL engineer Canan Karakaya uses computational modeling to design and improve chemical reactors and how they are operated to convert methane, carbon dioxide, ammonia or ethanol into higher-value chemicals or energy-dense fuels. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Canan Karakaya, a R&D Staff member in the Chemical Process Scale-Up group at ORNL, was inspired to become a chemical engineer after she experienced a magical transformation that turned ammonia gas into ammonium nitrate, turning a liquid into white flakes gently floating through the air. 

ORNL’s Kate Evans has been awarded the 2024 Society for Industrial and Applied Mathematicians Activity Group on Mathematics of Planet Earth Prize.

Kate Evans, director for the Computational Sciences and Engineering Division at ORNL, has been awarded the 2024 Society for Industrial and Applied Mathematicians Activity Group on Mathematics of Planet Earth Prize. 

A multidirectorate group from ORNL attended AGU23 and came away inspired for the year ahead in geospatial, earth and climate science

ORNL scientists and researchers attended the annual American Geophysical Union meeting and came away inspired for the year ahead in geospatial, earth and climate science. 

ORNL Associate Laboratory Director for Computing and Computational Sciences. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Gina Tourassi, associate laboratory director for computing and computational sciences at the US Department of Energy’s (DOE’s) Oak Ridge National Laboratory, has been named a fellow of the Institute of Electrical and Electronics Engineers, the world’s largest organization for technical professionals.

ORNL’s Tomás Rush examines a culture as part of his research into the plant-fungus relationship that can help or hinder ecosystem health. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

New computational framework speeds discovery of fungal metabolites, key to plant health and used in drug therapies and for other uses. 
 

Louise Stevenson uses her expertise as an environmental toxicologist to evaluate the effects of stressors such as chemicals and other contaminants on aquatic systems. Credit: Carlos Jones/ORNL, U.S. Dept of Energy

Louise Stevenson uses her expertise as an environmental toxicologist to evaluate the effects of stressors such as chemicals and other contaminants on aquatic systems.

Prasanna Balaprakash, who leads ORNL’s AI Initiative, participated in events hosted by the White House Office of Science and Technology Policy and the Task Force on American Innovation to discuss the challenges and opportunities posed by AI. Credit: Brian Mosley/Computing Research Association

In summer 2023, ORNL's Prasanna Balaprakash was invited to speak at a roundtable discussion focused on the importance of academic artificial intelligence research and development hosted by the White House Office of Science and Technology Policy and the U.S. National Science Foundation.

2023 Top Science Achievements at SNS & HFIR

The 2023 top science achievements from HFIR and SNS feature a broad range of materials research published in high impact journals such as Nature and Advanced Materials.

Alex May, pictured above, is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility. Credit: Carlos Jones and Wikimedia Commons, background/ORNL, U.S. Dept. of Energy
Alex May is the first and only full-time data curator at the Department of Energy’s Oak Ridge Leadership Computing Facility, evaluating datasets developed by computational scientists before they are made public through the OLCF’s Constellation portal for open data exchange.
The AI agent, incorporating a language model-based molecular generator and a graph neural network-based molecular property predictor, processes a set of user-provided molecules (green) and produces/suggests new molecules (red) with desired chemical/physical properties (i.e. excitation energy). Image credit: Pilsun You, Jason Smith/ORNL, U.S. DOE

A team of computational scientists at ORNL has generated and released datasets of unprecedented scale that provide the ultraviolet visible spectral properties of over 10 million organic molecules.