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Researchers used quantum Monte Carlo calculations to accurately render the structure and electronic properties of germanium selenide, a semiconducting nanomaterial. Credit: Paul Kent/ORNL, U.S. Dept. of Energy

A multi-lab research team led by ORNL's Paul Kent is developing a computer application called QMCPACK to enable precise and reliable predictions of the fundamental properties of materials critical in energy research.

ORNL’s Brenda Pracheil, left, and Kristine Moody collect water samples at Melton Hill Lake using a sophisticated instrument that collects DNA in the water to determine fish species and number of fish in the water, which could prove useful for monitoring hydropower impacts. Credit: Carlos Jones, ORNL/U.S Dept. of Energy

Researchers at Oak Ridge National Laboratory are using a novel approach in determining environmental impacts to aquatic species near hydropower facilities, potentially leading to smarter facility designs that can support electrical grid reliability.

A new process developed by Oak Ridge National Laboratory leverages deep learning techniques to study cell movements in a simulated environment, guided by simple physics rules similar to video-game play. Credit: MSKCC and UTK

Scientists have developed a novel approach to computationally infer previously undetected behaviors within complex biological environments by analyzing live, time-lapsed images that show the positioning of embryonic cells in C. elegans, or roundworms. Their published methods could be used to reveal hidden biological activity. 

Planting native grasses such as the bioenergy crop switchgrass can restore habitat for birds like this Eastern kingbird. Credit: Chris Lituma/West Virginia University

An analysis by Oak Ridge National Laboratory shows that using less-profitable farmland to grow bioenergy crops such as switchgrass could fuel not only clean energy, but also gains in biodiversity.

In a study, ORNL researchers concluded that the most direct path to plastic upcycling is through designing polymers specifically for reuse, which would allow the material to be converted into high-value products. Credit: Andy Sproles/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory researchers determined that designing polymers specifically with upcycling in mind could reduce future plastic waste considerably and facilitate a circular economy where the material is used repeatedly.

The ectomycorrhizal fungus Laccaria bicolor, shown in green, envelops the roots of a transgenic switchgrass plant. Switchgrass is not known to interact with this type of fungi naturally; the added PtLecRLK1 gene tells the plant to engage the fungus. Credit: ORNL, U.S. Dept. of Energy

An ORNL team has successfully introduced a poplar gene into switchgrass, an important biofuel source, that allows switchgrass to interact with a beneficial fungus, ultimately boosting the grass’ growth and viability in changing environments.

ORNL has modeled the spike protein that binds the novel coronavirus to a human cell for better understanding of the dynamics of COVID-19. Credit: Stephan Irle/ORNL, U.S. Dept. of Energy

To better understand the spread of SARS-CoV-2, the virus that causes COVID-19, Oak Ridge National Laboratory researchers have harnessed the power of supercomputers to accurately model the spike protein that binds the novel coronavirus to a human cell receptor.

ORNL assisted in investigating proteins called porins, one shown in red, which are found in the protective outer membrane of certain disease-causing bacteria and tether the membrane to the cell wall. Credit: Hyea (Sunny) Hwang/Georgia Tech and ORNL, U.S. Dept. of Energy

Scientists from Oak Ridge National Laboratory used high-performance computing to create protein models that helped reveal how the outer membrane is tethered to the cell membrane in certain bacteria.

Simulation of short polymer chains

Oak Ridge National Laboratory scientists have discovered a cost-effective way to significantly improve the mechanical performance of common polymer nanocomposite materials.

Computing – Mining for COVID-19 connections

Scientists have tapped the immense power of the Summit supercomputer at Oak Ridge National Laboratory to comb through millions of medical journal articles to identify potential vaccines, drugs and effective measures that could suppress or stop the