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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.

A team of researchers used mathematics to predict which areas of the SARS-CoV-2 spike protein are most likely to mutate. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Researchers from ORNL, the University of Tennessee at Chattanooga and Tuskegee University used mathematics to predict which areas of the SARS-CoV-2 spike protein are most likely to mutate.

Genetic analysis revealed connections between inflammatory activity and development of atomic dermatitis, according to researchers from the UPenn School of Medicine, the Perelman School of Medicine, and Oak Ridge National Laboratory. Credit: Kang Ko/UPenn

University of Pennsylvania researchers called on computational systems biology expertise at Oak Ridge National Laboratory to analyze large datasets of single-cell RNA sequencing from skin samples afflicted with atopic dermatitis.

ORNL’s Marcel Demarteau inspects experiments along Neutrino Alley at the Spallation Neutron Source, which makes neutrinos as a byproduct. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Marcel Demarteau is director of the Physics Division at the Department of Energy’s Oak Ridge National Laboratory. For topics from nuclear structure to astrophysics, he shapes ORNL’s physics research agenda.

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.

Fuel pellets sometimes degrade to a sandlike consistency and can disperse into the reactor core if a rod’s cladding bursts. ORNL researchers are studying how often this happens and what impact it has, in order to let reactors operate as long as possible without increasing risk.

A developing method to gauge the occurrence of a nuclear reactor anomaly has the potential to save millions of dollars.

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.

Paul Abraham uses mass spectrometry to study proteins.

Systems biologist Paul Abraham uses his fascination with proteins, the molecular machines of nature, to explore new ways to engineer more productive ecosystems and hardier bioenergy crops.

ORNL’s Lab-on-a-crystal uses machine learning to correlate materials’ mechanical, optical and electrical responses to dynamic environments. Credit: Ilia Ivanov/ORNL, U.S. Dept. of Energy

An all-in-one experimental platform developed at Oak Ridge National Laboratory’s Center for Nanophase Materials Sciences accelerates research on promising materials for future technologies.

Yanwen Zhang

In the search to create materials that can withstand extreme radiation, Yanwen Zhang, a researcher at the Department of Energy’s Oak Ridge National Laboratory, says that materials scientists must think outside the box.