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Computational biophysicist Ada Sedova is using experiments and high-performance computing to explore the properties of biological systems and predict their form and function, including research to accelerate drug discovery for COVID-19. Photo credit: Jason Richards, Oak Ridge National Laboratory, U.S. Dept. of Energy.

Ada Sedova’s journey to Oak Ridge National Laboratory has taken her on the path from pre-med studies in college to an accelerated graduate career in mathematics and biophysics and now to the intersection of computational science and biology

Members of the international team simulated changes to the start times of monsoon seasons across the globe, with warm colors representing onset delays. Credit: Moetasim Ashfaq and Adam Malin/Oak Ridge National Laboratory, U.S. Dept. of Energy

Scientists from the Department of Energy’s Oak Ridge National Laboratory and a dozen other international research institutions have produced the most elaborate set of projections to date that illustrates possible futures for major monsoon regions.

The protease protein is both shaped like a heart and functions as one, allowing the virus replicate and spread. Inhibiting the protease would block virus reproduction. Credit: Andrey Kovalevsky/ORNL, U.S. Dept. of Energy

A team of researchers has performed the first room-temperature X-ray measurements on the SARS-CoV-2 main protease — the enzyme that enables the virus to reproduce.

Simulations forecast nationwide increase in human exposure to extreme climate events

OAK RIDGE, Tenn., May 5, 2020 — By 2050, the United States will likely be exposed to a larger number of extreme climate events, including more frequent heat waves, longer droughts and more intense floods, which can lead to greater risks for human health, ecosystem stability and regional economies.

Ecosystem Ecologist Verity Salmon captures and analyzes field data from sites in in Alaska and Minnesota to inform earth system models that are being used to predict environmental change.

While some of her earth system modeling colleagues at ORNL face challenges such as processor allocation or debugging code, Verity Salmon prepares for mosquito swarms and the possibility of grizzly bears.

XACC enables the programming of quantum code alongside standard classical code and integrates quantum computers from a number of vendors. This animation illustrates how QPUs complete calculations and return results to the host CPU, a process that could drastically accelerate future scientific simulations. Credit: Michelle Lehman/Oak Ridge National Laboratory, U.S. Dept. of Energy

In the early 2000s, high-performance computing experts repurposed GPUs — common video game console components used to speed up image rendering and other time-consuming tasks 

Coronavirus graphic

In the race to identify solutions to the COVID-19 pandemic, researchers at the Department of Energy’s Oak Ridge National Laboratory are joining the fight by applying expertise in computational science, advanced manufacturing, data science and neutron science.

Researchers discovered the Tennessee cavesnail, Antrorbis tennesseensis, in caves near Oak Ridge National Laboratory. The snail measures in at less than 2 millimeters long. Credit: Nathaniel Shoobs and Matthew Niemiller

Sometimes conducting big science means discovering a species not much larger than a grain of sand.

Starch granules

Scientists at the Department of Energy’s Oak Ridge National Laboratory have developed a new method to peer deep into the nanostructure of biomaterials without damaging the sample. This novel technique can confirm structural features in starch, a carbohydrate important in biofuel production.

Examples from the ORNL Overhead Vehicle Dataset, generated with images captured by GRIDSMART cameras. Image: Thomas Karnowski/ORNL

Each year, approximately 6 billion gallons of fuel are wasted as vehicles wait at stop lights or sit in dense traffic with engines idling, according to US Department of Energy estimates.