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2022-242 - catlas
2022-242 - catlas
Abstract
catlas is open source software that is used to systematically enumerate surfaces and adsorption sites for catalyst materials, using open source machine learning potentials to predict their properties. It implements strategies that are standard and established in the catalysis community. It also implements parallel distribution...
Published: 4/24/2026
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Updated: 2/6/2026
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Inventor(s): Zachary Ulissi, Brook Wander, Kirby Broderick
Keywords(s):
Category(s): Source Code
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