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Researchers used quantum Monte Carlo calculations to accurately render the structure and electronic properties of germanium selenide, a semiconducting nanomaterial. Credit: Paul Kent/ORNL, U.S. Dept. of Energy

A multi-lab research team led by ORNL's Paul Kent is developing a computer application called QMCPACK to enable precise and reliable predictions of the fundamental properties of materials critical in energy research.

ORNL researchers worked with partners at the Colorado School of Mines and Baylor University to develop a new process optimization and control method for a closed-circuit reverse osmosis desalination system. The work is intended to support fully automated, decentralized water treatment plants. Credit: Andrew Sproles/ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory scientists worked with the Colorado School of Mines and Baylor University to develop and test control methods for autonomous water treatment plants that use less energy and generate less waste.

ORNL researchers proved that COVID-19 vaccines can be kept ultra-cool for an extended period in a retrofitted commercial storage container, providing a resource for safe delivery to remote locations. Credit: ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory researchers have retrofitted a commercial refrigeration container designed to ensure COVID-19 vaccines remain at ultra-low temperatures during long transport and while locally stored.

The REVISE-II modeling tool developed at ORNL supports decision-making for electric vehicle charging infrastructure development along interstate highways in support of intercity travel. Credit: Jason Richards/ORNL, U.S. Dept. of Energy

Researchers at Oak Ridge National Laboratory have developed a nationwide modeling tool to help infrastructure planners decide where and when to locate electric vehicle charging stations along interstate highways. The goal is to encourage the adoption of EVs for cross-country travel.

An algorithm developed and field-tested by ORNL researchers uses machine learning to maintain homeowners’ preferred temperatures year-round while minimizing energy costs. Credit: ORNL, U.S. Dept. of Energy

Oak Ridge National Laboratory researchers designed and field-tested an algorithm that could help homeowners maintain comfortable temperatures year-round while minimizing utility costs.

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.

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.

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.

Cars and coronavirus

Oak Ridge National Laboratory researchers have developed a machine learning model that could help predict the impact pandemics such as COVID-19 have on fuel demand in the United States.

 Using the ASGarD mathematical framework, scientists can model and visualize the electric fields, shown as arrows, circling around magnetic fields that are colorized to represent field magnitude of a fusion plasma. Credit: David Green/ORNL

Combining expertise in physics, applied math and computing, Oak Ridge National Laboratory scientists are expanding the possibilities for simulating electromagnetic fields that underpin phenomena in materials design and telecommunications.