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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.

 

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.

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.

red and green sphagnum moss

A type of peat moss has surprised scientists with its climate resilience: Sphagnum divinum is actively speciating in response to hot, dry conditions. 

Researchers used the open-source Community Earth System Model to simulate the effects that extreme climatic conditions have on processes like land carbon storage. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Researchers from Oak Ridge National Laboratory and Northeastern University modeled how extreme conditions in a changing climate affect the land’s ability to absorb atmospheric carbon — a key process for mitigating human-caused emissions. They found that 88% of Earth’s regions could become carbon emitters by the end of the 21st century. 

Clouds of gray smoke in the lower left are funneled northward from wildfires in Western Canada, reaching the edge of the sea ice covering the Arctic Ocean. A second path of thick smoke is visible at the top center of the image, emanating from wildfires in the boreal areas of Russia’s Far East, in this image captured on July 13, 2023. Credit: NASA MODIS

Wildfires have shaped the environment for millennia, but they are increasing in frequency, range and intensity in response to a hotter climate. The phenomenon is being incorporated into high-resolution simulations of the Earth’s climate by scientists at the Department of Energy’s Oak Ridge National Laboratory, with a mission to better understand and predict environmental change.

This map illustrates the natural climate variability that affects the cold-season climate of the Central Southwest Asian region. Credit: Moetasim Ashfaq/ORNL

As extreme weather devastates communities worldwide, scientists are using modeling and simulation to understand how climate change impacts the frequency and intensity of these events. Although long-term climate projections and models are important, they are less helpful for short-term prediction of extreme weather that may rapidly displace thousands of people or require emergency aid.

Tristen Mullins. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Tristen Mullins enjoys the hidden side of computers. As a signals processing engineer for ORNL, she tries to uncover information hidden in components used on the nation’s power grid — information that may be susceptible to cyberattacks.

A new method to control quantum states in a material is shown. The electric field induces polarization switching of the ferroelectric substrate, resulting in different magnetic and topological states. Credit: Mina Yoon, Fernando Reboredo, Jacquelyn DeMink/ORNL, U.S. Dept. of Energy

An advance in a topological insulator material — whose interior behaves like an electrical insulator but whose surface behaves like a conductor — could revolutionize the fields of next-generation electronics and quantum computing, according to scientists at ORNL.