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Exascale’s New Frontier: GAMESS

In 2016, the Department of Energy’s Exascale Computing Project, or ECP, set out to develop advanced software for the arrival of exascale-class supercomputers capable of a quintillion (1018) or more calculations per second. That meant rethinking, reinventing and optimizing dozens of scientific applications and software tools to leverage exascale’s thousandfold…
Matt Lakin
September 30, 2024
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Faces of Summit: Getting Acclimated

Ashleigh Barnes simulates metal–organic frameworks (MOFs) using the LSDalton chemistry code. Pictured left, a visualization of a magnesium-based MOF made up of magnesium ions (green) and organic linkers consisting of carbon (tan), oxygen (orange), and hydrogen (white) atoms. A carbon dioxide molecule (floating tan and orange molecule) has been adsorbed…
Rachel McDowell
September 17, 2018
Tjerk StraatsmaScience

Straatsma Named AAAS Fellow in Chemistry

OLCF Scientific Computing Group leader Tjerk Straatsma was recently elected a AAAS fellow in chemistry. Straatsma will be inducted in February at the AAAS Annual Meeting in Boston. At its core, the aim of science is to explain and understand. Each year, the world’s largest multidisciplinary scientific society, the American…
Jonathan Hines
January 31, 2017