Skip to main content
Gina Tourassi, left, has been appointed as director of the National Center for Computational Sciences at Oak Ridge National Laboratory. Tourassi replaces NCCS director Jim Hack, who will transition to a strategic leadership role in CCSD. Credit: Carlos Jones/ORNL

Gina Tourassi has been appointed as director of the National Center for Computational Sciences, a division of the Computing and Computational Sciences Directorate at Oak Ridge National Laboratory.

Illustration of a nitrogen dioxide molecule (depicted in blue and purple) captured in a nano-size pore of an MFM-520 metal-organic framework material as observed using neutron vibrational spectroscopy at Oak Ridge National Laboratory. Image credit: ORNL/Jill Hemman

An international team of scientists, led by the University of Manchester, has developed a metal-organic framework, or MOF, material

The configurational ensemble (a collection of 3D structures) of an intrinsically disordered protein, the N-terminal of c-Src kinase, which is a major signaling protein in humans. Credit: Oak Ridge National Laboratory, U.S. Dept. of Energy.

Using the Titan supercomputer and the Spallation Neutron Source at the Department of Energy’s Oak Ridge National Laboratory, scientists have created the most accurate 3D model yet of an intrinsically disordered protein, revealing the ensemble of its atomic-level structures.

Researchers explore the surface chemistry of a copper-chromium-iron oxide catalyst used to generate and purify hydrogen for industrial applications. Credit: Michelle Lehman and Adam Malin/Oak Ridge National Laboratory; U.S. Dept. of Energy.

Collaborators at the Department of Energy’s Oak Ridge National Laboratory and U.S. universities used neutron scattering and other advanced characterization techniques to study how a prominent catalyst enables the “water-gas shift” reaction to purify and generate hydrogen at industrial scale.

Snowflakes indicate phases of super-cold ice

An ORNL-led team's observation of certain crystalline ice phases challenges accepted theories about super-cooled water and non-crystalline ice. Their findings, reported in the journal Nature, will also lead to better understanding of ice and its various phases found on other planets, moons and elsewhere in space.

Oak Ridge National Laboratory develops liquid helium auto-fill technology

OAK RIDGE, Tenn., May 14, 2019—Advanced Research Systems, Inc., has licensed a technology designed to automatically refill liquid helium used in laboratory equipment for low-temperature scientific experiments, which will reduce downtime, recover more helium and increase overall efficiency.

U.S. Department of Energy and Cray to Deliver Record-Setting Frontier Supercomputer at ORNL

OAK RIDGE, Tenn., May 7, 2019—The U.S. Department of Energy today announced a contract with Cray Inc. to build the Frontier supercomputer at Oak Ridge National Laboratory, which is anticipated to debut in 2021 as the world’s most powerful computer with a performance of greater than 1.5 exaflops.

Illustration of the intricate organization of the PKA structure, wherein different parts of the protein are connected through elaborate hydrogen bonding networks (dashed yellow lines), glued together by the hydrophobic assemblies (light blue and orange volumes)—all working together to build the functional active site. Insert shows protonation of the transferred phosphoryl group (cyan mesh) and its many interactions with water and the active site amino acid residues. Credit: Jill Hemman/ORNL

OAK RIDGE, Tenn., March 20, 2019—Direct observations of the structure and catalytic mechanism of a prototypical kinase enzyme—protein kinase A or PKA—will provide researchers and drug developers with significantly enhanced abilities to understand and treat fatal diseases and neurological disorders such as cancer, diabetes, and cystic fibrosis.

In this MXene electrode, choosing the appropriate solvent for the electrolyte can increase energy density significantly. This scanning electron microscopy image shows fine features of a film only 5 microns thick—approximately 10 times narrower than a human hair. Credit: Drexel University; image by Tyler Mathis
Scientists at ORNL, Drexel University and their partners have discovered a way to improve the energy density of promising energy-storage materials, conductive two-dimensional ceramics called MXenes.
To develop complex materials with superior properties, Vera Bocharova uses diverse methods including broadband dielectric spectroscopy. Credit: Oak Ridge National Laboratory, U.S. Dept. of Energy; photographer Jason Richards

Vera Bocharova at the Department of Energy’s Oak Ridge National Laboratory investigates the structure and dynamics of soft materials—polymer nanocomposites, polymer electrolytes and biological macromolecules—to advance materials and technologies for energy, medicine and other applications.