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The Department of Energy’s Office of Science has selected five Oak Ridge National Laboratory scientists for Early Career Research Program awards.

The Department of Energy’s Office of Science has selected five Oak Ridge National Laboratory scientists for Early Career Research Program awards.

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The U.S. Department of Energy’s Innovative and Novel Computational Impact on Theory and Experiment, or INCITE, program is seeking proposals for high-impact, computationally intensive research campaigns in a broad array of science, engineering and computer science domains. 

Neutron scattering experiments show electric charges, shown in red, blue and grey, in the SARS-CoV-2 main protease site where telaprevir binds to the structure. The experiments provide critical data for the design of small-molecule drugs to treat COVID-19. Credit: Jill Hemman and Michelle Lehman/ORNL, U.S. Dept. of Energy

Scientists have found new, unexpected behaviors when SARS-CoV-2 – the virus that causes COVID-19 – encounters drugs known as inhibitors, which bind to certain components of the virus and block its ability to reproduce.  

 The researchers embedded a programmable model into a D-Wave quantum computer chip. Credit: D-Wave

A multi-institutional team became the first to generate accurate results from materials science simulations on a quantum computer that can be verified with neutron scattering experiments and other practical techniques.

Six ORNL scientists have been elected as fellows to the American Association for the Advancement of Science, or AAAS. Credit: ORNL, U.S. Dept. of Energy

Six ORNL scientists have been elected as fellows to the American Association for the Advancement of Science, or AAAS.

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.

UTK researchers used neutron probes at ORNL to confirm established fundamental chemical rules can also help understand and predict atomic movements and distortions in materials when disorder is introduced, as arrows show. Credit: Eric O’Quinn/UTK

Pauling’s Rules is the standard model used to describe atomic arrangements in ordered materials. Neutron scattering experiments at Oak Ridge National Laboratory confirmed this approach can also be used to describe highly disordered materials.

The first neutron structure of the SARS-CoV-2 main protease enzyme revealed unexpected electrical charges in the amino acids cysteine (negative) and histidine (positive), providing key data about the virus’s replication. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

To better understand how the novel coronavirus behaves and how it can be stopped, scientists have completed a three-dimensional map that reveals the location of every atom in an enzyme molecule critical to SARS-CoV-2 reproduction.

Sarah Cousineau

Two scientists with the Department of Energy’s Oak Ridge National Laboratory have been elected fellows of the American Physical Society.

Substituting deuterium for hydrogen makes methylammonium heavier and slows its swaying so it can interact with vibrations that remove heat, keeping charge carriers hot longer. Credit: Jill Hemman/ORNL, U.S. Dept. of Energy

Led by ORNL and the University of Tennessee, Knoxville, a study of a solar-energy material with a bright future revealed a way to slow phonons, the waves that transport heat.