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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.

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.

An X-ray CT image of a 3D-printed metal turbine blade was reconstructed using ORNL’s neural network and advanced algorithms. Credit: Amir Ziabari/ORNL, U.S. Dept. of Energy

Algorithms developed at Oak Ridge National Laboratory can greatly enhance X-ray computed tomography images of 3D-printed metal parts, resulting in more accurate, faster scans.

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Biologists from Oak Ridge National Laboratory and the Smithsonian Environmental Research Center have confirmed that microorganisms called methanogens can transform mercury into the neurotoxin methylmercury with varying efficiency across species.