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to accelerate the design and discovery of novel materials. The Materials Theory Group has a background in using first principles methods to examine electronic and thermal transport, magnetic properties
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projects relevant to catalysis and critical materials. Contribute to methods development and integrate data science to accelerate simulations, analyze large datasets, and extract properties. Work in multi
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Genesis Mission, which seeks to accelerate scientific discovery through the integration of AI-enabled solutions. NCCS operates the Frontier exascale supercomputer and world-class HPC infrastructure, giving
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carlo), as well as experience in developing and/or applying advanced AI/ML methods to accelerate materials discovery. The project will involve integrating such theory-informed AI-models for creating