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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. 

Rich Giannone uses bioanalytical mass spectrometry to examine proteins, the primary driver in biological systems.

Rich Giannone uses bioanalytical mass spectrometry to examine proteins, the primary driver in biological systems.

Spin chains in a quantum system undergo a collective twisting motion as the result of quasiparticles clustering together. Demonstrating this KPZ dynamics concept are pairs of neighboring spins, shown in red, pointing upward in contrast to their peers, in blue, which alternate directions. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

Using complementary computing calculations and neutron scattering techniques, researchers from the Department of Energy’s Oak Ridge and Lawrence Berkeley national laboratories and the University of California, Berkeley, discovered the existence of an elusive type of spin dynamics in a quantum mechanical system.

Targeted alpha therapy can deliver radiation to specific cells, with minimal effect on surrounding, healthy cells. Credit: Michelle Lehman and Jaimee Janiga/ORNL, U.S. Dept. of Energy

A rare isotope in high demand for treating cancer is now more available to pharmaceutical companies developing and testing new drugs.

Kashif Nawaz, researcher and group leader for multifunctional equipment integration in buildings technologies, is developing a platform for the direct air capture of carbon dioxide that can be retrofitted to existing rooftop heating, ventilation and air conditioning units.  Credit: ORNL/U.S. Dept. of Energy

When Kashif Nawaz looks at a satellite map of the U.S., he sees millions of buildings that could hold a potential solution for the capture of carbon dioxide, a plentiful gas that can be harmful when excessive amounts are released into the atmosphere, raising the Earth’s temperature.

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.  

Urban climate modeling

Researchers at Oak Ridge National Laboratory have identified a statistical relationship between the growth of cities and the spread of paved surfaces like roads and sidewalks. These impervious surfaces impede the flow of water into the ground, affecting the water cycle and, by extension, the climate.

Transition metals stitched into graphene with an electron beam form promising quantum building blocks. Credit: Ondrej Dyck, Andrew Lupini and Jacob Swett/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory scientists demonstrated that an electron microscope can be used to selectively remove carbon atoms from graphene’s atomically thin lattice and stitch transition-metal dopant atoms in their place.

ORNL researchers are developing a method to print low-cost, high-fidelity, customizable sensors for monitoring power grid equipment. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

A method developed at Oak Ridge National Laboratory to print high-fidelity, passive sensors for energy applications can reduce the cost of monitoring critical power grid assets.

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.