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Frontier supercomputer sets new standard in molecular simulation

When scientists pushed the world’s fastest supercomputer to its limits, they found those limits stretched beyond even their biggest expectations. In the latest milestone, a team of engineers and scientists used Frontier to simulate a system of nearly half a trillion atoms — the largest system ever modeled and more than 400 times the size of the closest competition.

Mohamad Zineddin

Mohamad Zineddin hopes to establish an interdisciplinary center of excellence for nuclear security at ORNL, combining critical infrastructure assessment and protection, risk mitigation, leadership in nuclear security, education and training, nuclear security culture and resilience strategies and techniques.

Jiafu Mao, left, and Yaoping Wang discuss their analysis of urban and rural vegetation resilience across the United States in the EVEREST visualization lab at ORNL. Credit: Carlos Jones, ORNL/U.S. Dept. of Energy

Scientists at ORNL completed a study of how well vegetation survived extreme heat events in both urban and rural communities across the country in recent years. The analysis informs pathways for climate mitigation, including ways to reduce the effect of urban heat islands.

Quietly making noise: Measuring differential privacy could balance meaningful analytics and identity protection

To balance personal safety and research innovation, researchers at ORNL are employing a mathematical technique known as differential privacy to provide data privacy guarantees.

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Simulations performed on the Summit supercomputer at ORNL are cutting through that time and expense by helping researchers digitally customize the ideal alloy. 

Architects of the Adaptable IO System, seen here with Frontier's Orion file system: Scott Klasky, left, heads the ADIOS project and leads ORNL's Workflow Systems group, and Norbert Podhorszki, an ORNL computer scientist, oversees ADIOS's continuing development. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Integral to the functionality of ORNL's Frontier supercomputer is its ability to store the vast amounts of data it produces onto its file system, Orion. But even more important to the computational scientists running simulations on Frontier is their capability to quickly write and read to Orion along with effectively analyzing all that data. And that’s where ADIOS comes in.

ORNL researcher Brian Williams prepares for a demonstration of a quantum key distribution system. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

An experiment by researchers at the Department of Energy’s Oak Ridge National Laboratory demonstrated advanced quantum-based cybersecurity can be realized in a deployed fiber link. 

ORNL’s Kate Evans has been awarded the 2024 Society for Industrial and Applied Mathematicians Activity Group on Mathematics of Planet Earth Prize.

Kate Evans, director for the Computational Sciences and Engineering Division at ORNL, has been awarded the 2024 Society for Industrial and Applied Mathematicians Activity Group on Mathematics of Planet Earth Prize. 

A multidirectorate group from ORNL attended AGU23 and came away inspired for the year ahead in geospatial, earth and climate science

ORNL scientists and researchers attended the annual American Geophysical Union meeting and came away inspired for the year ahead in geospatial, earth and climate science. 

: ORNL climate modeling expertise contributed to an AI-backed model that assesses global emissions of ammonia from croplands now and in a warmer future, while identifying mitigation strategies. This map highlights croplands around the world. Credit: U.S. Geological Survey

ORNL climate modeling expertise contributed to a project that assessed global emissions of ammonia from croplands now and in a warmer future, while also identifying solutions tuned to local growing conditions.