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A team from DOE’s Oak Ridge, Los Alamos and Sandia National Laboratories has developed a new solver algorithm that reduces the total run time of the Model for Prediction Across Scales-Ocean, or MPAS-Ocean, E3SM’s ocean circulation model, by 45%.
![The AI agent, incorporating a language model-based molecular generator and a graph neural network-based molecular property predictor, processes a set of user-provided molecules (green) and produces/suggests new molecules (red) with desired chemical/physical properties (i.e. excitation energy). Image credit: Pilsun You, Jason Smith/ORNL, U.S. DOE](/sites/default/files/styles/list_page_thumbnail/public/2023-12/image001_0.png?h=16ec4b77&itok=KtCjteSq)
A team of computational scientists at ORNL has generated and released datasets of unprecedented scale that provide the ultraviolet visible spectral properties of over 10 million organic molecules.
![Frontier’s exascale power enables the Simple Cloud-Resolving E3SM Atmosphere Model to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Ben Hillman/Sandia National Laboratories, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-12/E3SM-MMF.png?h=21f5ce54&itok=dsj1Hwvc)
A 19-member team of scientists from across the national laboratory complex won the Association for Computing Machinery’s 2023 Gordon Bell Special Prize for Climate Modeling for developing a model that uses the world’s first exascale supercomputer to simulate decades’ worth of cloud formations.
![A Univ. of Michigan-led team used Frontier, the world’s first exascale supercomputer, to simulate a system of nearly 75,000 magnesium atoms at near-quantum accuracy. Credit: SC23](/sites/default/files/styles/list_page_thumbnail/public/2023-12/Gavini-SC23_1116_awards-20.jpg?h=c6980913&itok=LQLYh4jz)
A team of eight scientists won the Association for Computing Machinery’s 2023 Gordon Bell Prize for their study that used the world’s first exascale supercomputer to run one of the largest simulations of an alloy ever and achieve near-quantum accuracy.
![2023 Battelle Distinguished Inventors](/sites/default/files/styles/list_page_thumbnail/public/2023-11/23-G07641-Battelle-Distinguished-Inventor-graphic-pcg_0.jpg?h=d1cb525d&itok=uhmqAKgT)
Four scientists affiliated with ORNL were named Battelle Distinguished Inventors during the lab’s annual Innovation Awards on Dec. 1 in recognition of being granted 14 or more United States patents.
![Researchers used Frontier, the world’s first exascale supercomputer, to simulate a magnesium system of nearly 75,000 atoms and the National Energy Research Computing Center’s Perlmutter supercomputer to simulate a quasicrystal structure, above, in a ytterbium-cadmium alloy. Credit: Vikram Gavini](/sites/default/files/styles/list_page_thumbnail/public/2023-11/Gavini_quasiCrystal_0.png?h=c85002af&itok=6QPdbiZo)
Researchers used the world’s first exascale supercomputer to run one of the largest simulations of an alloy ever and achieve near-quantum accuracy.
![Frontier’s exascale power enables the Energy, Exascale and Earth System Model-Multiscale Modeling Framework — or E3SM-MMF — project to run years’ worth of climate simulations at unprecedented speed and scale. Credit: Mark Taylor/Sandia National Laboratories, U.S. Dept. of Energy](/sites/default/files/styles/list_page_thumbnail/public/2023-11/E3SM-MMF.png?h=21f5ce54&itok=UAeMXyqa)
The world’s first exascale supercomputer will help scientists peer into the future of global climate change and open a window into weather patterns that could affect the world a generation from now.
![Logo that reads U.S. Department of Energy INCITE Leadership Computing](/sites/default/files/styles/list_page_thumbnail/public/2023-11/incite_300_0.jpg?h=7a0c69fb&itok=F0mwavMd)
The Department of Energy’s Office of Science has allocated supercomputer access to a record-breaking 75 computational science projects for 2024 through its Innovative and Novel Computational Impact on Theory and Experiment, or INCITE, program. DOE is awarding 60% of the available time on the leadership-class supercomputers at DOE’s Argonne and Oak Ridge National Laboratories to accelerate discovery and innovation.
![red and green sphagnum moss](/sites/default/files/styles/list_page_thumbnail/public/2023-10/2022-P05000_0.jpg?h=971886de&itok=7xwMranw)
A type of peat moss has surprised scientists with its climate resilience: Sphagnum divinum is actively speciating in response to hot, dry conditions.
![When exposed to radiation, electrons produced within molten zinc chloride, or ZnCl2, can be observed in three distinct singly occupied molecular orbital states, plus a more diffuse, delocalized state. Credit: Hung H. Nguyen/University of Iowa](/sites/default/files/styles/list_page_thumbnail/public/2023-10/bernard-wide_0.png?h=dba5e3ef&itok=DgnYZ_Vy)
In a finding that helps elucidate how molten salts in advanced nuclear reactors might behave, scientists have shown how electrons interacting with the ions of the molten salt can form three states with different properties. Understanding these states can help predict the impact of radiation on the performance of salt-fueled reactors.