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Stephan Lany

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Theoretical and Computational Chemistry

Materials discovery for high-temperature, clean-energy applications using graph neural network models of vacancy defects and free-energy calculations

Matthew Witman, Anuj Goyal, Tadashi Ogitsu, Anthony McDaniel, Stephan Lany

Version 2 posted 06 January 2023

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Theoretical and Computational Chemistry

Defect diffusion graph neural networks for materials discovery in high-temperature, clean energy applications

Lauren Way, Catalin Spataru, Reese Jones, Dallas Trinkle, Andrew Rowberg, Joel Varley, Robert Wexler, Christopher Smyth, Tyra Douglas, Sean Bishop, Elliot Fuller, Anthony McDaniel, Stephan Lany, Matthew Witman

Version 1 posted 28 August 2024

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