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The researchers used the new model to accurately identify clusters of gene mutations (spheres), which helped them study the emergence of various genetic diseases. Image credit: Ivaylo Ivanov, Georgia State University.

Environmental conditions, lifestyle choices, chemical exposure, and foodborne and airborne pathogens are among the external factors that can cause disease. In contrast, internal genetic factors can be responsible for the onset and progression of diseases ranging from degenerative neurological disorders to some cancers.

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.

Virtual universes

Using Summit, the world’s most powerful supercomputer housed at Oak Ridge National Laboratory, a team led by Argonne National Laboratory ran three of the largest cosmological simulations known to date.

Small modular reactor computer simulation

In a step toward advancing small modular nuclear reactor designs, scientists at Oak Ridge National Laboratory have run reactor simulations on ORNL supercomputer Summit with greater-than-expected computational efficiency.

The illustrations show how the correlation between lattice distortion and proton binding energy in a material affects proton conduction in different environments. Mitigating this interaction could help researchers improve the ionic conductivity of solid materials.

Ionic conduction involves the movement of ions from one location to another inside a material. The ions travel through point defects, which are irregularities in the otherwise consistent arrangement of atoms known as the crystal lattice. This sometimes sluggish process can limit the performance and efficiency of fuel cells, batteries, and other energy storage technologies.

Low-cost, compact, printed sensor that can collect and transmit data on electrical appliances for better load monitoring

Scientists at Oak Ridge National Laboratory have developed a low-cost, printed, flexible sensor that can wrap around power cables to precisely monitor electrical loads from household appliances to support grid operations.

 

ORNL staff members (from left) Ashley Shields, Michael Galloway, Ketan Maheshwari and Andrew Miskowiec are collaborating on a project focused on predicting and analyzing crystal structures of new uranium oxide phases. Credit: Jason Richards/ORNL

Scientists at the Department of Energy’s Oak Ridge National Laboratory are working to understand both the complex nature of uranium and the various oxide forms it can take during processing steps that might occur throughout the nuclear fuel cycle.

Molecular dynamics simulations of the Fs-peptide revealed the presence of at least eight distinct intermediate stages during the process of protein folding. The image depicts a fully folded helix (1), various transitional forms (2–8), and one misfolded state (9). By studying these protein folding pathways, scientists hope to identify underlying factors that affect human health.

Using artificial neural networks designed to emulate the inner workings of the human brain, deep-learning algorithms deftly peruse and analyze large quantities of data. Applying this technique to science problems can help unearth historically elusive solutions.

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.

Oak Ridge National Laboratory entrance sign

The unique process of accepting a new supercomputer is one of the most challenging projects a programmer may take on during a career. When the Oak Ridge Leadership Computing Facility’s (OLCF’s) Verónica Melesse Vergara came to the United States from Ecuador in 2005, she never would have dreamed of being part of such an endeavor. But just last fall, she was.