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Showing 1 to 2 of 2 for “"Neural Network potential"”.
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Symmetry in Crystal Structure Prediction
… in the theoretical capacity of the Ge anode. A neural network potential (NNP) was trained, tested and then used to expedite the searches performed on NaGe. Following this, the Wyckoff Aligned Molecules (WAM) technique for generating symmetric trial structures using extended building units such …
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Exploring the Importance of Dynamics in Materials from the Atomic to the Supramolecular Scale Using Advanced Computational Methods
L'abstract è presente nell'allegato / the abstract is in the attachment