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Caption: Jaswinder Sharma makes battery coin cells with a lightweight current collector made of thin layers of aligned carbon fibers in a polymer with carbon nanotubes. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Electric vehicles can drive longer distances if their lithium-ion batteries deliver more energy in a lighter package. A prime weight-loss candidate is the current collector, a component that often adds 10% to the weight of a battery cell without contributing energy.

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

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. 

ORNL researchers are establishing a digital thread of data, algorithms and workflows to produce a continuously updated model of earth systems.

Digital twins are exactly what they sound like: virtual models of physical reality that continuously update to reflect changes in the real world.

 

Conceptual art depicts machine learning finding an ideal material for capacitive energy storage. Its carbon framework (black) has functional groups with oxygen (pink) and nitrogen (turquoise). Credit: Tao Wang/ORNL, U.S. Dept. of Energy

Guided by machine learning, chemists at ORNL designed a record-setting carbonaceous supercapacitor material that stores four times more energy than the best commercial material.

Scientists at Oak Ridge National Laboratory contributed to several chapters of the Fifth National Climate Assessment, providing expertise in complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling. Credit: ORNL, U.S. Dept. of Energy

Scientists at ORNL used their knowledge of complex ecosystem processes, energy systems, human dynamics, computational science and Earth-scale modeling to inform the nation’s latest National Climate Assessment, which draws attention to vulnerabilities and resilience opportunities in every region of the country.

From left are Analytics and AI Methods at Scale group leader Feiyi Wang, technical lead Mike Matheson and research scientist Hao Lu.

The team that built Frontier set out to break the exascale barrier, but the supercomputer’s record-breaking didn’t stop there.

Staff working on construction and facility updates in preparation for the Frontier, the world’s first exascale supercomputer.

Making room for the world’s first exascale supercomputer took some supersized renovations.

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

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

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.

Sam Hollifield displays a prototype of the Secure Hijack, Intrusion and Exploit Layered Detector, or SHIELD, the device monitoring the cybersecurity of the semi-truck. Credit: Lena Shoemaker/ORNL, U.S. Dept. of Energy

As vehicles gain technological capabilities, car manufacturers are using an increasing number of computers and sensors to improve situational awareness and enhance the driving experience.