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Catalin Spataru

2 results in Authors: Catalin Spataru

Thermodynamic modeling of complex solid solutions in the Lu-H-N system via graph neural network accelerated Monte Carlo simulations

Pinwen Guan, Catalin Spataru, Vitalie Stavila, Reese Jones, Peter Sharma, Matthew Witman

Version 1 posted 19 August 2024

172

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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

334

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