Resultados da busca - Alejandro Strachan

High-throughput density functional theory screening of double transition metal MXene precursors por Kat Nykiel, Alejandro Strachan

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Bridging the synthesizability gap in perovskites by combining computations, literature data, and PU learning por Rushik Desai, Junyeong Ahn, Alejandro Strachan, Arun Mannodi-Kanakkithodi

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Graph neural network coarse-grain force field for the molecular crystal RDX por Brian H. Lee, James P. Larentzos, John K. Brennan, Alejandro Strachan

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Discovery of new high-pressure phases – integrating high-throughput DFT simulations, graph neural networks, and active learning por Ching-Chien Chen, Robert J. Appleton, Saswat Mishra, Kat Nykiel, Alejandro Strachan

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Mapping microstructure to shock-induced temperature fields using deep learning por Chunyu Li, Juan Carlos Verduzco, Brian H. Lee, Robert J. Appleton, Alejandro Strachan

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