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![This protein drives key processes for sulfide use in many microorganisms that produce methane, including Thermosipho melanesiensis. Researchers used supercomputing and deep learning tools to predict its structure, which has eluded experimental methods such as crystallography. Credit: Ada Sedova/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2022-01/thermosipho_collabfold2_0.jpg?h=3432ff3c&itok=4xhLbjKZ)
A team of scientists led by the Department of Energy’s Oak Ridge National Laboratory and the Georgia Institute of Technology is using supercomputing and revolutionary deep learning tools to predict the structures and roles of thousands of proteins with unknown functions.
![Using quantum Monte Carlo methods, the researchers simulated bulk VO2. Yellow and turquoise represent changes in electron density between the excited and ground states of a compound composed of oxygen, in red, and vanadium, in blue, which allowed them to evaluate how an oxygen vacancy, in white, can alter the compound’s properties. Credit: Panchapakesan Ganesh/ORNL, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2022-01/image001_0.png?h=11d99c73&itok=sdREw4na)
Neuromorphic devices — which emulate the decision-making processes of the human brain — show great promise for solving pressing scientific problems, but building physical systems to realize this potential presents researchers with a significant
![The Roane State Community College associates are (from left) Jeff Manning, Chris Zerr, Bruce Lester, Joe Pyle, Darrell Roddy and Rusty Dryman. The Roane State Community College associates are (from left) Jeff Manning, Chris Zerr, Bruce Lester, Joe Pyle, Darrell Roddy and Rusty Dryman.](/sites/default/files/styles/list_page_thumbnail/public/news/images/RSCC_GISteam200.jpg?itok=MxJWkLJo)
Bruce Lester has had a lot of jobs: fisherman, horse trainer, “professional stair builder.” He last worked for a real estate company, surveying land using geographic software. “When the bottom fell out of the construction industry and the company downsized, I got laid off,”
![Default image of ORNL entry sign](/sites/default/files/styles/list_page_thumbnail/public/2023-09/default-thumbnail.jpg?h=553c93cc&itok=N_Kd1DVR)
![Oak Ridge National Laboratory Oak Ridge National Laboratory](/sites/default/files/styles/list_page_thumbnail/public/news/images/Officiallogo_6.png?itok=DxNu8ip6)
![Illustration of the structure of a phosphoglycerate kinase protein that was subjected to molecular dynamics simulations. The relative motions of the red and blue domains of the proteins are highly complex, and can be described in terms of motion of a conf Illustration of the structure of a phosphoglycerate kinase protein that was subjected to molecular dynamics simulations. The relative motions of the red and blue domains of the proteins are highly complex, and can be described in terms of motion of a conf](/sites/default/files/styles/list_page_thumbnail/public/news/images/Smith_protein_simulation.jpg?itok=c9O4nXqm)
![DOE's INCITE program promotes transformational advances in science and technology through large allocations of time on state-of-the-art supercomputers, including the Titan supercomputer at ORNL. DOE's INCITE program promotes transformational advances in science and technology through large allocations of time on state-of-the-art supercomputers, including the Titan supercomputer at ORNL.](/sites/default/files/styles/list_page_thumbnail/public/news/images/8134349962_cb87e5e39d_k.jpg?itok=LwmTBjpZ)
The U.S. Department of Energy’s Office of Science announced 56 projects aimed at accelerating discovery and innovation to address some of the world’s most challenging scientific questions. The projects will share 5.8 billion core hours on America’s two most powerful s...
![Using high-performance computing, ORNL researchers are modelling the atomic structure of new alloys to select the best candidates for physical experimentation. Using high-performance computing, ORNL researchers are modelling the atomic structure of new alloys to select the best candidates for physical experimentation.](/sites/default/files/styles/list_page_thumbnail/public/news/images/atomstoengines_main.jpeg?itok=g3OlvPl_)
The Department of Energy’s Oak Ridge National Laboratory, FCA US LLC, and the foundry giant, Nemak of Mexico, are combining their strengths to create lightweight powertrain materials that will help the auto industry speed past the technological
![Take a Periscope tour of America's fastest supercomputer Take a Periscope tour of America's fastest supercomputer](/sites/default/files/styles/list_page_thumbnail/public/front_page_slide_assets/8134322849_c241213429_o.jpg?itok=Z0lUuWUF)
Oak Ridge National Laboratory gave social media users an exclusive tour of its supercomputer Titan on Nov. 5. Using Periscope, a live video broadcasting service app, Bronson Messer, senior scientist at ORNL's Scientific Computing and Theoretical Physics Groups...
![Default image of ORNL entry sign](/sites/default/files/styles/list_page_thumbnail/public/2023-09/default-thumbnail.jpg?h=553c93cc&itok=N_Kd1DVR)